RN7
Summary
| Name: | 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide |
| Formula: | C18 H25 N5 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 407.553 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-(morpholin-4-yl)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-morpholin-4-ylethyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3Cc2c1c(N)nc(nc1sc2CC3)SCC(NCCN4CCOCC4)=O |
| InChI | InChI | 1.03 | InChI=1S/C18H25N5O2S2/c19-16-15-12-3-1-2-4-13(12)27-17(15)22-18(21-16)26-11-14(24)20-5-6-23-7-9-25-10-8-23/h1-11H2,(H,20,24)(H2,19,21,22) |
| InChIKey | InChI | 1.03 | CPHMUVOHJJACKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(SCC(=O)NCCN2CCOCC2)nc3sc4CCCCc4c13 |
| SMILES | CACTVS | 3.385 | Nc1nc(SCC(=O)NCCN2CCOCC2)nc3sc4CCCCc4c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCc2c(c3c(nc(nc3s2)SCC(=O)NCCN4CCOCC4)N)C1 |
