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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1H-pyrimidin-4-one Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H20ClN3O2S/c23-18-7-3-4-15(10-18)14-29-22-24-19(11-20(27)25-22)12-21(28)26-9-8-16-5-1-2-6-17(16)13-26/h1-7,10-11H,8-9,12-14H2,(H,24,25,27)