N6-(3,5-dimethylphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3,5-dimethylphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3,5-dimethylphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3,5-dimethylphenyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3,5-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C17H23N7O2 MolecularWeight: 357.41022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H23N7O2/c1-12-8-13(2)10-14(9-12)20-16-15(24(25)26)17(19-11-18-16)21-23-6-4-22(3)5-7-23/h8-11H,4-7H2,1-3H3,(H2,18,19,20,21)