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

Systemtic Name: 3-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]quinazolin-4-one Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C=NC4=CC=CC=C4C3=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C=NC4=CC=CC=C4C3=O)C5=CC=CS5)OC

InChI

InChI=1S/C25H23N3O4S/c1-31-20-12-16-9-10-28(24(22-8-5-11-33-22)18(16)13-21(20)32-2)23(29)14-27-15-26-19-7-4-3-6-17(19)25(27)30/h3-8,11-13,15,24H,9-10,14H2,1-2H3