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

Systemtic Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1H-pyrimidin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c26-20-12-19(23-22(24-20)28-15-16-6-2-1-3-7-16)13-21(27)25-11-10-17-8-4-5-9-18(17)14-25/h1-9,12H,10-11,13-15H2,(H,23,24,26)