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

Systemtic Name: 5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(2-pyrimidinyl)-1-piperazinyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-[4-(2-pyrimidyl)piperazino]pyrimidin-4-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C22H26N8O5 MolecularWeight: 482.49244

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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=NC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H26N8O5/c1-33-16-11-15(12-17(34-2)19(16)35-3)13-25-20-18(30(31)32)21(27-14-26-20)28-7-9-29(10-8-28)22-23-5-4-6-24-22/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,25,26,27)