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

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)butyramide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C18H17BrN4O2S/c19-12-6-7-15-14(10-12)17(25)23(18(26)22-15)9-3-5-16(24)21-11-13-4-1-2-8-20-13/h1-2,4,6-8,10H,3,5,9,11H2,(H,21,24)(H,22,26)