74Z
Summary
| Name: | N-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
| Formula: | C15 H15 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 285.364 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.5 | ~{N}-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1nc(c2c(n1)sc3CCCCc23)NCc4ccco4 |
| InChI | InChI | 1.03 | InChI=1S/C15H15N3OS/c1-2-6-12-11(5-1)13-14(17-9-18-15(13)20-12)16-8-10-4-3-7-19-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,17,18) |
| InChIKey | InChI | 1.03 | OZBAWCPXMIEVSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCc2c(C1)sc3ncnc(NCc4occc4)c23 |
| SMILES | CACTVS | 3.385 | C1CCc2c(C1)sc3ncnc(NCc4occc4)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4 |
