RMS
概要
| 表記: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine |
| 組成式: | C17 H24 N4 S2 |
| 電荷: | 0 |
| 化学式量: | 348.529 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-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 10-(3-piperidin-1-ylpropylsulfanyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-amine |
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 | C4N(CCCSc1nc(N)c2c3c(sc2n1)CCC3)CCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C17H24N4S2/c18-15-14-12-6-4-7-13(12)23-16(14)20-17(19-15)22-11-5-10-21-8-2-1-3-9-21/h1-11H2,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | LFHQZKLJPPVEJC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(SCCCN2CCCCC2)nc3sc4CCCc4c13 |
| SMILES | CACTVS | 3.385 | Nc1nc(SCCCN2CCCCC2)nc3sc4CCCc4c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N |
