5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C24H25N3O2S MolecularWeight: 419.5392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H25N3O2S/c1-16-21(14-22(28)27-13-12-19-10-6-7-11-20(19)15-27)23(29)26-24(25-16)30-17(2)18-8-4-3-5-9-18/h3-11,17H,12-15H2,1-2H3,(H,25,26,29)