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

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-(2-furfuryl)quinazolin-4-one Formula: C26H25N3O5S MolecularWeight: 491.5588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC

InChI

InChI=1S/C26H25N3O5S/c1-32-22-12-17-9-10-28(14-18(17)13-23(22)33-2)24(30)16-35-26-27-21-8-4-3-7-20(21)25(31)29(26)15-19-6-5-11-34-19/h3-8,11-13H,9-10,14-16H2,1-2H3