N6-(3-methylphenyl)-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylphenyl)-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(m-tolyl)-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylphenyl)-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylphenyl)-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(m-toluidino)-5-nitro-pyrimidin-4-yl]-(1-naphthyl)amine Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2/c1-14-6-4-9-16(12-14)24-20-19(26(27)28)21(23-13-22-20)25-18-11-5-8-15-7-2-3-10-17(15)18/h2-13H,1H3,(H2,22,23,24,25)