2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C22H23N3O4S/c1-28-18-9-16-17(10-19(18)29-2)23-20(24-22(16)27)12-30-13-21(26)25-8-7-14-5-3-4-6-15(14)11-25/h3-6,9-10H,7-8,11-13H2,1-2H3,(H,23,24,27)