N4-methyl-N6-(4-methylphenyl)-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-N6-(4-methylphenyl)-N4-(1-methylpiperidin-4-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(4-methylphenyl)-N4-(1-methyl-4-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-6-N-(4-methylphenyl)-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O2/c1-13-4-6-14(7-5-13)21-17-16(24(25)26)18(20-12-19-17)23(3)15-8-10-22(2)11-9-15/h4-7,12,15H,8-11H2,1-3H3,(H,19,20,21)