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

Systemtic Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C24H25N3O3S MolecularWeight: 435.5386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)OC)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)OC)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H25N3O3S/c1-16-21(13-22(28)27-11-10-18-7-3-4-8-19(18)14-27)23(29)26-24(25-16)31-15-17-6-5-9-20(12-17)30-2/h3-9,12H,10-11,13-15H2,1-2H3,(H,25,26,29)