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

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3,6-dimethyl-quinazolin-4-one CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3,6-dimethyl-4-quinazolinone IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3,6-dimethylquinazolin-4-one Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3,6-dimethyl-quinazolin-4-one Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H25N3O4S/c1-14-5-6-18-17(9-14)22(28)25(2)23(24-18)31-13-21(27)26-8-7-15-10-19(29-3)20(30-4)11-16(15)12-26/h5-6,9-11H,7-8,12-13H2,1-4H3