N2-(3,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dimethylphenyl)-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3,4-dimethylphenyl)-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]-(3,4-dimethylphenyl)amine Formula: C18H24N6O2 MolecularWeight: 356.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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