(2R)-2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide

Systemtic Name: (2R)-2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Openeye Name: (2R)-2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide CAS Name: (2R)-2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Traditional Name: (2R)-2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C20H25BrN4O3S MolecularWeight: 481.4065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NC3CC3

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1S[C@H](C)C(=O)NC(=O)NC3CC3

InChI

InChI=1S/C20H25BrN4O3S/c1-3-4-5-10-25-18(27)15-11-13(21)6-9-16(15)23-20(25)29-12(2)17(26)24-19(28)22-14-7-8-14/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H2,22,24,26,28)/t12-/m1/s1