A1AAE
Summary
| Name: | (3M)-N~6~-ethyl-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine |
| Formula: | C14 H16 N6 |
| Formal charge: | 0 |
| Formula weight: | 268.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3M)-N~6~-ethyl-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}6-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1cncc1c1nc(N)c2cnc(NCC)cc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18) |
| InChIKey | InChI | 1.06 | ZZRQLAUQECWGOR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1cc2cc(nc(N)c2cn1)c3cncn3C |
| SMILES | CACTVS | 3.385 | CCNc1cc2cc(nc(N)c2cn1)c3cncn3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNc1cc2cc(nc(c2cn1)N)c3cncn3C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNc1cc2cc(nc(c2cn1)N)c3cncn3C |
