4-[4-(diphenylmethyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-6-[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-5-nitro-6-(p-tolylthio)pyrimidine Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c1-21-12-14-24(15-13-21)36-28-26(33(34)35)27(29-20-30-28)32-18-16-31(17-19-32)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20,25H,16-19H2,1H3