CAS号:1892594-93-2-2-Methyl-2-((4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide - 2-Methyl-2-((4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide-科华智慧

1. 主信息

英文名:	2-Methyl-2-((4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
中文名:	2-Methyl-2-((4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
CAS编号:	1892594-93-2
化学分子式：	C₁₅H₁₅N₅O₂S
化学分子量：	329.4 g/mol
SMILES：	CC(C)(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1
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	5mg	98%	1200	-20°C	现货	-
科华智慧	10mg	98%	1920	-20°C	现货	-
科华智慧	25mg	98%	3600	-20°C	现货	-
科华智慧	100mg	98%	10800	-20°C	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 38 40 0 0 0 0 0 0 0999 V2000 -3.0020 -0.6886 1.0940 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 -2.1599 -1.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 4.0288 -0.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5407 1.2194 -0.0507 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3487 1.7777 0.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 0.1733 0.5119 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0495 2.4245 -0.3812 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9421 -2.9529 0.8236 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 -1.8196 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1972 1.2426 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 2.5462 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 -1.0797 -1.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 -2.9987 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8137 0.4970 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -2.3150 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5836 2.8959 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 0.1084 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 3.2316 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 -0.9252 0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 0.0297 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 -2.0374 1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3561 -1.0824 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0533 -2.1160 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 -1.7667 -2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 -0.2693 -1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1474 -0.6594 -1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6147 -3.7384 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6026 -3.5270 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8027 -2.6746 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3468 1.9039 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1149 4.2776 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 -0.8885 1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7763 0.8134 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5545 -3.0550 1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 -3.3212 0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 -2.8360 1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2431 -1.1448 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7067 -2.9807 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 6 10 1 0 0 0 0 6 14 2 0 0 0 0 7 18 2 0 0 0 0 8 15 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

2-methyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide

4.2 InChl

InChI=1S/C15H15N5O2S/c1-15(2,13(16)22)23-14-18-11-10(12(21)19-14)8-17-20(11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,16,22)(H,18,19,21)

4.3 InChlKey

HIGNONZTHOPLMQ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1

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