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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-(2-hydroxyethyl)-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(2-hydroxyethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-(2-hydroxyethyl)-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(2-hydroxyethyl)pyrimidin-4-one Traditional Name: 5-benzyl-2-[8-(4-chlorophenyl)octylthio]-1-(2-hydroxyethyl)pyrimidin-4-one Formula: C27H33ClN2O2S MolecularWeight: 485.08112

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClN2O2S/c28-25-15-13-22(14-16-25)10-6-3-1-2-4-9-19-33-27-29-26(32)24(21-30(27)17-18-31)20-23-11-7-5-8-12-23/h5,7-8,11-16,21,31H,1-4,6,9-10,17-20H2