6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)hexanamide

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)hexanamide Openeye Name: 6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyridinylmethyl)hexanamide IUPAC Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)hexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)hexanamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C20H21BrN4O2S/c21-15-7-8-17-16(11-15)19(27)25(20(28)24-17)10-3-1-2-6-18(26)23-13-14-5-4-9-22-12-14/h4-5,7-9,11-12H,1-3,6,10,13H2,(H,23,26)(H,24,28)