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

Systemtic Name: 1-(6-bromanyl-2-thiophen-2-yl-quinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Openeye Name: 1-[6-bromo-2-(2-thienyl)quinazolin-4-yl]-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one CAS Name: 1-(6-bromo-2-thiophen-2-yl-4-quinazolinyl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one IUPAC Name: 1-(6-bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Traditional Name: 1-[6-bromo-2-(2-thienyl)quinazolin-4-yl]-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one Formula: C29H22BrN5O4S MolecularWeight: 616.48508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6

InChI

InChI=1S/C29H22BrN5O4S/c1-37-22-13-16(14-23(38-2)25(22)39-3)27-33-34-29(36)18-7-4-5-8-21(18)35(27)28-19-15-17(30)10-11-20(19)31-26(32-28)24-9-6-12-40-24/h4-15H,1-3H3,(H,34,36)