N4-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: 2-(4-methyl-1-piperidyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-2-(4-methyl-1-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC(=C3)C)[N+](=O)[O-])N

Isomeric SMILES

CC1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC=CC(=C3)C)[N+](=O)[O-])N

InChI

InChI=1S/C17H22N6O2/c1-11-6-8-22(9-7-11)17-20-15(18)14(23(24)25)16(21-17)19-13-5-3-4-12(2)10-13/h3-5,10-11H,6-9H2,1-2H3,(H3,18,19,20,21)