4-(4-methylpiperazin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(4-methylpiperazin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-methyl-1-piperazinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O2/c1-23-7-11-25(12-8-23)19-18(27(28)29)20(22-16-21-19)26-13-9-24(10-14-26)15-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3