2-[8-(4-chlorophenyl)octylsulfanyl]-1-(3-oxidanylpropyl)-5-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-(3-oxidanylpropyl)-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(3-hydroxypropyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-(3-hydroxypropyl)-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(3-hydroxypropyl)pyrimidin-4-one Traditional Name: 5-benzyl-2-[8-(4-chlorophenyl)octylthio]-1-(3-hydroxypropyl)pyrimidin-4-one Formula: C28H35ClN2O2S MolecularWeight: 499.1077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CCCO

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CCCO

InChI

InChI=1S/C28H35ClN2O2S/c29-26-16-14-23(15-17-26)11-6-3-1-2-4-9-20-34-28-30-27(33)25(22-31(28)18-10-19-32)21-24-12-7-5-8-13-24/h5,7-8,12-17,22,32H,1-4,6,9-11,18-21H2