2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(phenylmethyl)-5-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(phenylmethyl)-5-pyridin-4-yl-pyrimidin-4-one Openeye Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(phenylmethyl)-5-pyridin-4-yl-4-pyrimidinone IUPAC Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-pyridin-4-ylpyrimidin-4-one Traditional Name: 1-benzyl-2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-(4-pyridyl)pyrimidin-4-one Formula: C30H30ClN3O2S MolecularWeight: 532.0961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C30H30ClN3O2S/c31-26-14-12-25(13-15-26)28(35)11-7-2-1-3-8-20-37-30-33-29(36)27(24-16-18-32-19-17-24)22-34(30)21-23-9-5-4-6-10-23/h4-6,9-10,12-19,22H,1-3,7-8,11,20-21H2