3WK
Summary
| Name: | 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-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-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one |
| OpenEye OEToolkits | 1.9.2 | 4-[(4-aminophenyl)amino]-6H-pyrido[2,3-d]pyrimidin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2c(ncnc2N=CC1)Nc3ccc(N)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-13-11-10(19)5-6-15-12(11)16-7-17-13/h1-4,6-7H,5,14H2,(H,16,17,18) |
| InChIKey | InChI | 1.03 | FWUUBTREFIXWHX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(Nc2ncnc3N=CCC(=O)c23)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(Nc2ncnc3N=CCC(=O)c23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O |
