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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-[(4-chlorophenyl)thio]-5-nitro-pyrimidine Formula: C27H24ClN5O2S MolecularWeight: 518.02976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24ClN5O2S/c28-22-11-13-23(14-12-22)36-27-25(33(34)35)26(29-19-30-27)32-17-15-31(16-18-32)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2