3WJ
Summary
| Name: | 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one |
| Formula: | C13 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 253.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one |
| OpenEye OEToolkits | 1.9.2 | 8-(4-aminophenyl)-4-azanyl-pyrido[2,3-d]pyrimidin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(ncnc1N)N(C=C2)c3ccc(N)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-6-5-10(19)11-12(15)16-7-17-13(11)18/h1-7H,14H2,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | VKOOVQQNRDYNBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)N2C=CC(=O)c3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)N2C=CC(=O)c3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N |
