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

Systemtic Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(4-phenyl-1-piperazinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-phenylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C24H28N6O5 MolecularWeight: 480.51632

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O5/c1-33-19-13-17(14-20(34-2)22(19)35-3)15-25-23-21(30(31)32)24(27-16-26-23)29-11-9-28(10-12-29)18-7-5-4-6-8-18/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,25,26,27)