RNV
Summary
| Name: | 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide |
| Formula: | C18 H27 N5 O S2 |
| Formal charge: | 0 |
| Formula weight: | 393.57 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-~{N}-[2-(diethylamino)ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCC3)=O)N(CC)CC |
| InChI | InChI | 1.03 | InChI=1S/C18H27N5OS2/c1-3-23(4-2)10-9-20-14(24)11-25-18-21-16(19)15-12-7-5-6-8-13(12)26-17(15)22-18/h3-11H2,1-2H3,(H,20,24)(H2,19,21,22) |
| InChIKey | InChI | 1.03 | IQQWKKVZCVYLKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCCc3sc2n1 |
| SMILES | CACTVS | 3.385 | CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCCc3sc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N |
