V15
Summary
| Name: | 2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE |
| Formula: | C12 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 215.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-6-(2-phenylethyl)pyrimidin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-6-phenethyl-3H-pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=C(N=C(N)N1)CCc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=CC(=O)N1)CCc2ccccc2 |
| SMILES | CACTVS | 3.341 | NC1=NC(=CC(=O)N1)CCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC2=CC(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC2=CC(=O)NC(=N2)N |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3O/c13-12-14-10(8-11(16)15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16) |
| InChIKey | InChI | 1.03 | CNBSPUGFNQVSJS-UHFFFAOYSA-N |
