N4-(3,4-dimethylphenyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzylpiperazin-1-yl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(3,4-dimethylphenyl)amine Formula: C23H27N7O2 MolecularWeight: 433.50618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H27N7O2/c1-16-8-9-19(14-17(16)2)25-22-20(30(31)32)21(24)26-23(27-22)29-12-10-28(11-13-29)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H3,24,25,26,27)