4-[(4-chlorophenyl)methylsulfanylmethyl]-6-[4-(diphenylmethyl)piperazin-1-yl]-2-phenyl-pyrimidine

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-[4-(diphenylmethyl)piperazin-1-yl]-2-phenyl-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenyl-pyrimidine CAS Name: 4-[[(4-chlorophenyl)methylthio]methyl]-6-[4-(diphenylmethyl)-1-piperazinyl]-2-phenylpyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-[(4-chlorophenyl)methylsulfanylmethyl]-2-phenylpyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-[[(4-chlorobenzyl)thio]methyl]-2-phenyl-pyrimidine Formula: C35H33ClN4S MolecularWeight: 577.18132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC(=C2)CSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC(=NC(=C2)CSCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H33ClN4S/c36-31-18-16-27(17-19-31)25-41-26-32-24-33(38-35(37-32)30-14-8-3-9-15-30)39-20-22-40(23-21-39)34(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-19,24,34H,20-23,25-26H2