5V3
Summary
| Name: | 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one |
| Formula: | C15 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 266.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4O/c20-15-12-6-7-17-13(14(12)18-10-19-15)9-16-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19,20) |
| InChIKey | InChI | 1.03 | YIEUEKVBIVGYSC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=CNc2c(CNCc3ccccc3)nccc12 |
| SMILES | CACTVS | 3.385 | O=C1N=CNc2c(CNCc3ccccc3)nccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3 |
