N4-(3,5-dimethylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,5-dimethylphenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H19N5O2 MolecularWeight: 349.38646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O2/c1-13-8-14(2)10-16(9-13)23-19-17(24(25)26)18(21-12-22-19)20-11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H2,20,21,22,23)