4-[(4-chlorophenyl)methylsulfanylmethyl]-6-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenyl-pyrimidine

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenyl-pyrimidine Openeye Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenyl-pyrimidine CAS Name: 4-[[(4-chlorophenyl)methylthio]methyl]-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-phenylpyrimidine IUPAC Name: 4-[(4-chlorophenyl)methylsulfanylmethyl]-6-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpyrimidine Traditional Name: 4-[[(4-chlorobenzyl)thio]methyl]-6-[4-(3-chlorophenyl)piperazino]-2-phenyl-pyrimidine Formula: C28H26Cl2N4S MolecularWeight: 521.50384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=NC(=C3)CSCC4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=NC(=C3)CSCC4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H26Cl2N4S/c29-23-11-9-21(10-12-23)19-35-20-25-18-27(32-28(31-25)22-5-2-1-3-6-22)34-15-13-33(14-16-34)26-8-4-7-24(30)17-26/h1-12,17-18H,13-16,19-20H2