N-(2,4-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(2,4-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,4-dimethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O4/c1-32-18-8-9-19(20(14-18)33-2)26-22-21(29(30)31)23(25-16-24-22)28-12-10-27(11-13-28)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25,26)