N-[(4-dimethylaminophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[(4-dimethylaminophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-dimethylaminophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[(4-dimethylaminophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [4-[[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amino]methyl]phenyl]-dimethyl-amine Formula: C24H29N7O2 MolecularWeight: 447.53276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N7O2/c1-28(2)21-10-8-19(9-11-21)16-25-23-22(31(32)33)24(27-18-26-23)30-14-12-29(13-15-30)17-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,25,26,27)