2YL
Summary
| Name: | 6-amino-4-phenyl-1,3,5-triazin-2(1H)-one |
| Formula: | C9 H8 N4 O |
| Formal charge: | 0 |
| Formula weight: | 188.186 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-amino-4-phenyl-1,3,5-triazin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 6-azanyl-4-phenyl-1H-1,3,5-triazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C(N=C(N)N1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8N4O/c10-8-11-7(12-9(14)13-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13,14) |
| InChIKey | InChI | 1.03 | ZBKCUYOBOGCDKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=NC(=O)N1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NC1=NC(=NC(=O)N1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=NC(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C2=NC(=O)NC(=N2)N |
