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

Systemtic Name: 2-[2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C5=CC=CS5)OC

InChI

InChI=1S/C26H26N4O4S/c1-33-20-12-16-9-10-29(25(22-8-5-11-35-22)18(16)13-21(20)34-2)15-24-28-19-7-4-3-6-17(19)26(32)30(24)14-23(27)31/h3-8,11-13,25H,9-10,14-15H2,1-2H3,(H2,27,31)/t25-/m0/s1