S9I
Summary
| Name: | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine |
| Formula: | C19 H22 N6 O S |
| Formal charge: | 0 |
| Formula weight: | 382.483 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-6-{[(1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy}-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-6-[[(1~{S},2~{S})-2-(5-methylpyridin-2-yl)cyclopropyl]methoxy]-~{N}-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(nc1)C1CC1COc1cc(nc(C)n1)NCc1nnc(C)s1 |
| InChI | InChI | 1.06 | InChI=1S/C19H22N6OS/c1-11-4-5-16(20-8-11)15-6-14(15)10-26-18-7-17(22-12(2)23-18)21-9-19-25-24-13(3)27-19/h4-5,7-8,14-15H,6,9-10H2,1-3H3,(H,21,22,23)/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | WQKPZDLZRFTMTI-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(nc1)[C@H]2C[C@@H]2COc3cc(NCc4sc(C)nn4)nc(C)n3 |
| SMILES | CACTVS | 3.385 | Cc1ccc(nc1)[CH]2C[CH]2COc3cc(NCc4sc(C)nn4)nc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(nc1)[C@H]2C[C@@H]2COc3cc(nc(n3)C)NCc4nnc(s4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(nc1)C2CC2COc3cc(nc(n3)C)NCc4nnc(s4)C |
