VG9
Summary
| Name: | 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE |
| Formula: | C19 H24 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 368.433 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6-[[(2,5-diethoxyphenyl)amino]methyl]-5-methyl-pyrido[3,2-e]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1cc(c(c2c1nc(nc2N)N)C)CNc3cc(OCC)ccc3OCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 |
| SMILES | CACTVS | 3.341 | CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOc1ccc(c(c1)NCc2cnc3c(c2C)c(nc(n3)N)N)OCC |
| InChI | InChI | 1.03 | InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25) |
| InChIKey | InChI | 1.03 | KKMWDWUZXFYKLD-UHFFFAOYSA-N |
