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

Systemtic Name: 2-[8-(4-chlorophenyl)octylsulfanyl]-1-(furan-2-ylmethyl)-5-(phenylmethyl)pyrimidin-4-one Openeye Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(2-furylmethyl)pyrimidin-4-one CAS Name: 2-[8-(4-chlorophenyl)octylthio]-1-(2-furanylmethyl)-5-(phenylmethyl)-4-pyrimidinone IUPAC Name: 5-benzyl-2-[8-(4-chlorophenyl)octylsulfanyl]-1-(furan-2-ylmethyl)pyrimidin-4-one Traditional Name: 5-benzyl-2-[8-(4-chlorophenyl)octylthio]-1-(2-furfuryl)pyrimidin-4-one Formula: C30H33ClN2O2S MolecularWeight: 521.11322

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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)CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CN(C(=NC2=O)SCCCCCCCCC3=CC=C(C=C3)Cl)CC4=CC=CO4

InChI

InChI=1S/C30H33ClN2O2S/c31-27-17-15-24(16-18-27)11-6-3-1-2-4-9-20-36-30-32-29(34)26(21-25-12-7-5-8-13-25)22-33(30)23-28-14-10-19-35-28/h5,7-8,10,12-19,22H,1-4,6,9,11,20-21,23H2