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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: homoveratryl-[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=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

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

InChI

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