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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O2S/c1-15-20(12-21(28)27-10-9-17-6-2-3-7-18(17)13-27)22(29)26-23(25-15)30-14-16-5-4-8-19(24)11-16/h2-8,11H,9-10,12-14H2,1H3,(H,25,26,29)