1-(6-bromanyl-2-thiophen-2-yl-quinazolin-4-yl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one

Systemtic Name: 1-(6-bromanyl-2-thiophen-2-yl-quinazolin-4-yl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Openeye Name: 1-[6-bromo-2-(2-thienyl)quinazolin-4-yl]-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one CAS Name: 1-(6-bromo-2-thiophen-2-yl-4-quinazolinyl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one IUPAC Name: 1-(6-bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Traditional Name: 1-[6-bromo-2-(2-thienyl)quinazolin-4-yl]-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Formula: C27H18BrN5O2S MolecularWeight: 556.43312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6

InChI

InChI=1S/C27H18BrN5O2S/c1-35-18-11-8-16(9-12-18)25-31-32-27(34)19-5-2-3-6-22(19)33(25)26-20-15-17(28)10-13-21(20)29-24(30-26)23-7-4-14-36-23/h2-15H,1H3,(H,32,34)