RMV
概要
| 表記: | 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide |
| 組成式: | C17 H25 N5 O S2 |
| 電荷: | 0 |
| 化学式量: | 379.543 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[(12-azanyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-10-yl)sulfanyl]-~{N}-[2-(diethylamino)ethyl]ethanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C)N(CCNC(CSc1nc(c2c(n1)sc3c2CCC3)N)=O)CC |
| InChI | InChI | 1.03 | InChI=1S/C17H25N5OS2/c1-3-22(4-2)9-8-19-13(23)10-24-17-20-15(18)14-11-6-5-7-12(11)25-16(14)21-17/h3-10H2,1-2H3,(H,19,23)(H2,18,20,21) |
| InChIKey | InChI | 1.03 | IBVCPFKCFDMQIP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCc3sc2n1 |
| SMILES | CACTVS | 3.385 | CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCc3sc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCC3)N |
