2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(phenylmethyl)-5-(pyridin-3-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(phenylmethyl)-5-(pyridin-3-ylmethyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-5-(3-pyridylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(phenylmethyl)-5-(3-pyridinylmethyl)-4-pyrimidinone IUPAC Name: 1-benzyl-2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-5-(pyridin-3-ylmethyl)pyrimidin-4-one Traditional Name: 1-benzyl-2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-5-(3-pyridylmethyl)pyrimidin-4-one Formula: C31H32ClN3O2S MolecularWeight: 546.12268

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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)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C31H32ClN3O2S/c32-28-16-14-26(15-17-28)29(36)13-7-2-1-3-8-19-38-31-34-30(37)27(20-25-12-9-18-33-21-25)23-35(31)22-24-10-5-4-6-11-24/h4-6,9-12,14-18,21,23H,1-3,7-8,13,19-20,22H2