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

Systemtic Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[2-(3,5-dimethoxyphenyl)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 2-(3,5-dimethoxyphenyl)ethyl-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C23H27N7O4 MolecularWeight: 465.50498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)OC

InChI

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