CAS号:871700-22-0-3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(MethylaMino)pyriMidine-2,4(1H,3H)-dione - 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4(1H,3H)-dione-科华智慧

1. 主信息

英文名:	3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4(1H,3H)-dione
中文名:	3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(MethylaMino)pyriMidine-2,4(1H,3H)-dione
CAS编号:	871700-22-0
化学分子式：	C₁₄H₁₃FIN₃O₂
化学分子量：	401.17 g/mol
SMILES：	CNC1=CC(=O)N(C(=O)N1C2=C(C=C(C=C2)I)F)C3CC3
来源：	合成化合物
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
科华智慧	100mg	98%	64	2-8℃，避光	现货	-
科华智慧	250mg	98%	112	2-8℃，避光	现货	-
科华智慧	1g	98%	432	2-8℃，避光	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 34 36 0 0 0 0 0 0 0999 V2000 -6.1222 1.0043 -0.2536 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 1.5514 1.6428 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5719 1.8491 -0.6735 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 -1.2498 -0.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3138 0.3735 -0.3334 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -0.3520 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3431 -2.6766 0.6334 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2721 1.4410 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 1.6795 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 2.6738 0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 0.7113 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8142 -0.9149 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 -1.9314 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 -1.6563 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.0396 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 0.9152 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -0.6949 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 -4.0612 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2647 1.2145 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 -0.3959 -1.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 0.5589 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 1.5739 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 1.9572 -0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5502 1.0922 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 2.7387 1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 3.6206 -0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 -2.9103 0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 -2.4258 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -1.4341 -1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 -4.2570 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 -4.6576 0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 -4.4226 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 1.9617 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 -0.9169 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione

4.2 InChl

InChI=1S/C14H13FIN3O2/c1-17-12-7-13(20)18(9-3-4-9)14(21)19(12)11-5-2-8(16)6-10(11)15/h2,5-7,9,17H,3-4H2,1H3

4.3 InChlKey

MALTZCVPKJAUOE-UHFFFAOYSA-N

4.4 Canonical SMILES

CNC1=CC(=O)N(C(=O)N1C2=C(C=C(C=C2)I)F)C3CC3

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