1-(6,7-dimethoxy-2-thiophen-2-yl-quinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one

Systemtic Name: 1-(6,7-dimethoxy-2-thiophen-2-yl-quinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Openeye Name: 1-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one CAS Name: 1-(6,7-dimethoxy-2-thiophen-2-yl-4-quinazolinyl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one IUPAC Name: 1-(6,7-dimethoxy-2-thiophen-2-ylquinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Traditional Name: 1-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Formula: C31H27N5O6S MolecularWeight: 597.64098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6

InChI

InChI=1S/C31H27N5O6S/c1-38-22-15-19-20(16-23(22)39-2)32-28(26-11-8-12-43-26)33-30(19)36-21-10-7-6-9-18(21)31(37)35-34-29(36)17-13-24(40-3)27(42-5)25(14-17)41-4/h6-16H,1-5H3,(H,35,37)