N2-(2,5-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-(2,5-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N2-(2,5-dimethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2,5-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-2-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperazino)-5-nitro-pyrimidin-2-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(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N7O4/c1-33-17-8-9-19(34-2)18(14-17)25-23-26-21(24)20(30(31)32)22(27-23)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)