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 |