N4-(3-methylphenyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3-methylphenyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3-methylphenyl)-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(benzylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18N6O2/c1-12-6-5-9-14(10-12)21-17-15(24(25)26)16(19)22-18(23-17)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H4,19,20,21,22,23)