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

Systemtic Name: N4-(3,4-dimethylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-2-(4-methyl-1-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-2-(4-methyl-1-piperidinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]-(3,4-dimethylphenyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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