3C8
Summary
| Name: | 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine |
| Formula: | C16 H19 N7 |
| Formal charge: | 0 |
| Formula weight: | 309.369 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 1.9.2 | 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c(cn1)C)C4CN(c3nc2c(ncnc2N)cc3)CCC4 |
| InChI | InChI | 1.03 | InChI=1S/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | NUOOXGXOVSCCHC-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4ncnc(N)c4n3 |
| SMILES | CACTVS | 3.385 | Cc1c[nH]nc1[CH]2CCCN(C2)c3ccc4ncnc(N)c4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c[nH]nc1[C@H]2CCCN(C2)c3ccc4c(n3)c(ncn4)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c[nH]nc1C2CCCN(C2)c3ccc4c(n3)c(ncn4)N |
