2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-6-methyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-6-methyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-6-methyl-5-(3-pyridylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-6-methyl-5-(3-pyridinylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-6-methyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-6-methyl-5-(3-pyridylmethyl)-1H-pyrimidin-4-one Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCCCCCCC(=O)C2=CC=C(C=C2)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C25H28ClN3O2S/c1-18-22(16-19-8-7-14-27-17-19)24(31)29-25(28-18)32-15-6-4-2-3-5-9-23(30)20-10-12-21(26)13-11-20/h7-8,10-14,17H,2-6,9,15-16H2,1H3,(H,28,29,31)