N4-(2-methylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(2-methylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amine Formula: C18H17N5O2 MolecularWeight: 335.35988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c1-13-7-5-6-10-15(13)22-18-16(23(24)25)17(20-12-21-18)19-11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H2,19,20,21,22)