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

Systemtic Name: 3-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-propyl]quinazolin-4-one Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCN3C=NC4=CC=CC=C4C3=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCN3C=NC4=CC=CC=C4C3=O)C5=CC=CS5)OC

InChI

InChI=1S/C26H25N3O4S/c1-32-21-14-17-9-12-29(25(23-8-5-13-34-23)19(17)15-22(21)33-2)24(30)10-11-28-16-27-20-7-4-3-6-18(20)26(28)31/h3-8,13-16,25H,9-12H2,1-2H3