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

Systemtic Name: N-methyl-5-nitro-N-(phenylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-benzylpiperazin-1-yl)-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-methyl-5-nitro-N-(phenylmethyl)-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-benzylpiperazin-1-yl)-N-methyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2/c1-26(16-19-8-4-2-5-9-19)22-21(29(30)31)23(25-18-24-22)28-14-12-27(13-15-28)17-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3