N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(3,5-dimethoxyphenyl)ethyl]amine Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H30N6O4/c1-34-21-14-20(15-22(16-21)35-2)8-9-26-24-23(31(32)33)25(28-18-27-24)30-12-10-29(11-13-30)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,26,27,28)