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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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