N4-(3-methylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(m-tolyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-(m-toluidino)-5-nitro-pyrimidin-4-yl]-phenethyl-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)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2/c1-14-6-5-9-16(12-14)23-19-17(24(25)26)18(21-13-22-19)20-11-10-15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21,22,23)