1-(6,7-dimethoxy-2-thiophen-2-yl-quinazolin-4-yl)-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one

Systemtic Name: 1-(6,7-dimethoxy-2-thiophen-2-yl-quinazolin-4-yl)-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one Openeye Name: 1-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one CAS Name: 1-(6,7-dimethoxy-2-thiophen-2-yl-4-quinazolinyl)-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one IUPAC Name: 1-(6,7-dimethoxy-2-thiophen-2-ylquinazolin-4-yl)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one Traditional Name: 1-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one Formula: C28H21N5O4S MolecularWeight: 523.56244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4C5=CC=CC=C5C(=O)NNC4=C6C=CC(=O)C=C6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4C5=CC=CC=C5C(=O)NNC4=C6C=CC(=O)C=C6)OC

InChI

InChI=1S/C28H21N5O4S/c1-36-22-14-19-20(15-23(22)37-2)29-25(24-8-5-13-38-24)30-27(19)33-21-7-4-3-6-18(21)28(35)32-31-26(33)16-9-11-17(34)12-10-16/h3-15,31H,1-2H3,(H,32,35)