ethanoic acid; N2-(phenylmethyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: ethanoic acid; N2-(phenylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: acetic acid; N2-benzyl-1,3,5-triazine-2,4,6-triamine CAS Name: acetic acid; N2-(phenylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: acetic acid; 2-N-benzyl-1,3,5-triazine-2,4,6-triamine Traditional Name: acetic acid; benzyl-(4,6-diamino-s-triazin-2-yl)amine Formula: C12H16N6O2 MolecularWeight: 276.29444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)N

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C10H12N6.C2H4O2/c11-8-14-9(12)16-10(15-8)13-6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2,(H5,11,12,13,14,15,16);1H3,(H,3,4)