2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-isopentyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5-isoamyl-6-methyl-1H-pyrimidin-4-one Formula: C18H21ClN2O2S MolecularWeight: 364.88954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)CCC(C)C

InChI

InChI=1S/C18H21ClN2O2S/c1-11(2)4-9-15-12(3)20-18(21-17(15)23)24-10-16(22)13-5-7-14(19)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,20,21,23)