CAS号:76360-81-1-ethyl 5-hydroxy-8-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate - Ethyl 5-hydroxy-8-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate-科华智慧

1. 主信息

英文名:	Ethyl 5-hydroxy-8-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
中文名:	ethyl 5-hydroxy-8-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CAS编号:	76360-81-1
化学分子式：	C₁₂H₁₃N₃O₄S
化学分子量：	295.32 g/mol
SMILES：	CCOC(=O)C1=C(C2=CN=C(N=C2N(C1=O)C)SC)O
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	1g	95%	3240	RT	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 33 34 0 0 0 0 0 0 0999 V2000 5.1625 0.8351 0.2842 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 2.0583 -0.7074 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4223 0.4317 0.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3334 -2.6557 0.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 -1.0249 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 -1.5387 0.0848 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 -0.3281 0.1462 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 2.0508 -0.1356 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4173 -0.3106 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 0.8647 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 -0.3322 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 0.8283 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 -1.6110 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4432 -2.7712 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 2.0200 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8791 -0.3682 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 0.8565 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8519 0.5026 0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3146 1.4267 1.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4847 -0.9341 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -2.6887 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1653 -2.9170 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7885 -3.6457 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 2.9972 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 1.9505 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1854 0.8900 -0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2698 -0.4985 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 1.0621 2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8897 2.4274 1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4053 1.5049 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9664 -1.3004 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1723 -1.5115 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5587 -1.0813 0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

ethyl 5-hydroxy-8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate

4.2 InChl

InChI=1S/C12H13N3O4S/c1-4-19-11(18)7-8(16)6-5-13-12(20-3)14-9(6)15(2)10(7)17/h5,16H,4H2,1-3H3

4.3 InChlKey

DYADCDHHJJBFRO-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOC(=O)C1=C(C2=CN=C(N=C2N(C1=O)C)SC)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

回顶

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

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型