2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)ethanamide

Systemtic Name: 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)ethanamide Openeye Name: 2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide CAS Name: 2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-[(cyclopropylamino)-oxomethyl]acetamide IUPAC Name: 2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide Traditional Name: 2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(cyclopropylcarbamoyl)acetamide Formula: C18H21BrN4O3S MolecularWeight: 453.35334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)NC3CC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C18H21BrN4O3S/c1-10(2)8-23-16(25)13-7-11(19)3-6-14(13)21-18(23)27-9-15(24)22-17(26)20-12-4-5-12/h3,6-7,10,12H,4-5,8-9H2,1-2H3,(H2,20,22,24,26)