3Q2
Summary
| Name: | 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine |
| Formula: | C16 H19 N7 O |
| Formal charge: | 0 |
| Formula weight: | 325.368 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine |
| OpenEye OEToolkits | 1.7.0 | 6-[2-azanyl-6-[(3R,4S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-2H-indazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c(nc(c2ccc1c(N)nnc1c2)cc3N4C(COCC4)C)N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H]1COCCN1c2cc(nc(N)n2)c3ccc4c(N)[nH]nc4c3 |
| SMILES | CACTVS | 3.370 | C[CH]1COCCN1c2cc(nc(N)n2)c3ccc4c(N)[nH]nc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1COCCN1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N |
| InChI | InChI | 1.03 | InChI=1S/C16H19N7O/c1-9-8-24-5-4-23(9)14-7-12(19-16(18)20-14)10-2-3-11-13(6-10)21-22-15(11)17/h2-3,6-7,9H,4-5,8H2,1H3,(H3,17,21,22)(H2,18,19,20)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | WNVXQKKSIHKYCX-SECBINFHSA-N |
