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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzylpiperazin-1-yl)-N4-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C23H27N7O4 MolecularWeight: 465.50498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N7O4/c1-33-17-8-9-19(34-2)18(14-17)25-22-20(30(31)32)21(24)26-23(27-22)29-12-10-28(11-13-29)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H3,24,25,26,27)