3WA
Summary
| Name: | 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one |
| Formula: | C7 H6 N4 O |
| Formal charge: | 0 |
| Formula weight: | 162.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one |
| OpenEye OEToolkits | 1.9.2 | 4-azanyl-8H-pyrido[2,3-d]pyrimidin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1c(ncnc1N)NC=C2 |
| InChI | InChI | 1.03 | InChI=1S/C7H6N4O/c8-6-5-4(12)1-2-9-7(5)11-3-10-6/h1-3H,(H3,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | BGXMRRHONOWTLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2NC=CC(=O)c12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2NC=CC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1nc(c2c(n1)NC=CC2=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1nc(c2c(n1)NC=CC2=O)N |
