3-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]benzenecarbonitrile; 1,3,5-triazinane-2,4,6-trione

Systemtic Name: 3-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]benzenecarbonitrile; 1,3,5-triazinane-2,4,6-trione Openeye Name: 3-(4,6-diamino-1,3,5-triazin-2-yl)benzonitrile; 1,3,5-triazinane-2,4,6-trione CAS Name: 3-(4,6-diamino-1,3,5-triazin-2-yl)benzonitrile; 1,3,5-triazinane-2,4,6-trione IUPAC Name: 3-(4,6-diamino-1,3,5-triazin-2-yl)benzonitrile; 1,3,5-triazinane-2,4,6-trione Traditional Name: 3-(4,6-diamino-s-triazin-2-yl)benzonitrile; isocyanuric acid Formula: C13H11N9O3 MolecularWeight: 341.28494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC(=NC(=N2)N)N)C#N.C1(=O)NC(=O)NC(=O)N1

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC(=NC(=N2)N)N)C#N.C1(=O)NC(=O)NC(=O)N1

InChI

InChI=1S/C10H8N6.C3H3N3O3/c11-5-6-2-1-3-7(4-6)8-14-9(12)16-10(13)15-8;7-1-4-2(8)6-3(9)5-1/h1-4H,(H4,12,13,14,15,16);(H3,4,5,6,7,8,9)