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

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C24H27N3O4S/c1-4-10-27-23(29)18-7-5-6-8-19(18)25-24(27)32-15-22(28)26-11-9-16-12-20(30-2)21(31-3)13-17(16)14-26/h5-8,12-13H,4,9-11,14-15H2,1-3H3