2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5)OC

InChI

InChI=1S/C24H26N4O3S/c1-30-20-11-15-9-10-28(13-16(15)12-21(20)31-2)22(29)14-32-24-26-19-6-4-3-5-18(19)23(27-24)25-17-7-8-17/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,25,26,27)