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

Systemtic Name: 5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C23H27N7O5 MolecularWeight: 481.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H27N7O5/c1-33-17-12-16(13-18(34-2)21(17)35-3)14-25-22-20(30(31)32)23(27-15-26-22)29-10-8-28(9-11-29)19-6-4-5-7-24-19/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,25,26,27)