OAG
Summary
| Name: | 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine |
| Formula: | C14 H12 Cl2 N6 |
| Formal charge: | 0 |
| Formula weight: | 335.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 6-[[(2,5-dichlorophenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1 |
| SMILES | CACTVS | 3.352 | Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22) |
| InChIKey | InChI | 1.03 | RSPDQFOJWPXTPN-UHFFFAOYSA-N |
