RNM
Summary
| Name: | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
| Formula: | C18 H26 N4 S2 |
| Formal charge: | 0 |
| Formula weight: | 362.556 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | (7~{R})-7-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc2nc(SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C |
| InChI | InChI | 1.03 | InChI=1S/C18H26N4S2/c1-11-5-6-13-14(8-11)24-17-15(13)16(19)20-18(21-17)23-10-12-4-3-7-22(2)9-12/h11-12H,3-10H2,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | STWKSNMUKUNXDK-VXGBXAGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCc2c(C1)sc3nc(SC[C@@H]4CCCN(C)C4)nc(N)c23 |
| SMILES | CACTVS | 3.385 | C[CH]1CCc2c(C1)sc3nc(SC[CH]4CCCN(C)C4)nc(N)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCc2c(sc3c2c(nc(n3)SC[C@@H]4CCCN(C4)C)N)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCc2c(sc3c2c(nc(n3)SCC4CCCN(C4)C)N)C1 |
