2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-isoxazol-3-yl-acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-(3-isoxazolyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-isoxazol-3-yl-acetamide Formula: C18H19BrN4O3S MolecularWeight: 451.33746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=NOC=C3

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=NOC=C3

InChI

InChI=1S/C18H19BrN4O3S/c1-2-3-4-8-23-17(25)13-10-12(19)5-6-14(13)20-18(23)27-11-16(24)21-15-7-9-26-22-15/h5-7,9-10H,2-4,8,11H2,1H3,(H,21,22,24)