A1EU5
Summary
| Name: | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine |
| Formula: | C16 H17 Cl N6 |
| Formal charge: | 0 |
| Formula weight: | 328.799 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H17ClN6/c1-22(11-3-4-14-10(7-11)8-19-23(14)2)15-12-9-18-6-5-13(12)20-16(17)21-15/h3-4,7-8,18H,5-6,9H2,1-2H3 |
| InChIKey | InChI | 1.06 | MPXXTZWKGCMZRF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4CCNCc34 |
| SMILES | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4CCNCc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4c(nc(n3)Cl)CCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4c(nc(n3)Cl)CCNC4 |
