CAS号:--- - (4aS,7aR)-3-(4-phenoxyphenyl)-1,4a,5,6,7,7a-hexahydropyrrolo[3,2-d]pyrimidine-2,4-dione-科华智慧

1. 主信息

英文名:	(4aS,7aR)-3-(4-phenoxyphenyl)-1,4a,5,6,7,7a-hexahydropyrrolo[3,2-d]pyrimidine-2,4-dione
中文名:	-
CAS编号:	-
化学分子式：	C₁₈H₁₇N₃O₃
化学分子量：	323.3 g/mol
SMILES：	C1CN[C@H]2[C@@H]1NC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
来源：	-
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 41 44 0 1 0 0 0 0 0999 V2000 -1.7442 -1.8045 -0.6966 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 2.7738 0.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 1.4356 0.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4305 -2.2722 -0.4541 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2597 1.2834 0.0733 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0464 0.4954 -0.2775 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7973 -0.0455 0.0066 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9691 -0.9455 -0.8735 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8444 -0.7662 1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6013 -2.2303 1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 -0.8150 -0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 1.5935 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 0.7393 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2489 0.0017 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 1.7069 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 0.2358 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2298 1.9411 0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 1.2056 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 0.3359 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -0.7080 0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4285 0.3106 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8149 -1.8152 1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2743 -0.7967 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.8595 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8172 0.0400 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 -0.7726 -1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8133 -0.6187 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0685 -0.4053 2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7013 -2.5967 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4414 -2.8622 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7808 -3.0056 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 2.0477 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -0.7024 -1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 2.2535 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2826 -0.3229 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6081 2.6863 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -0.6871 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6684 1.1372 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -2.6404 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 -0.8312 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6267 -2.7210 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 32 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(4aS,7aR)-3-(4-phenoxyphenyl)-1,4a,5,6,7,7a-hexahydropyrrolo[3,2-d]pyrimidine-2,4-dione

4.2 InChl

InChI=1S/C18H17N3O3/c22-17-16-15(10-11-19-16)20-18(23)21(17)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9,15-16,19H,10-11H2,(H,20,23)/t15-,16+/m1/s1

4.3 InChlKey

GOADJUHEVIODFU-CVEARBPZSA-N

4.4 Canonical SMILES

C1CN[C@H]2[C@@H]1NC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型