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

Systemtic Name: 3-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide Openeye Name: 3-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)propanamide CAS Name: 3-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-[(cyclopentylamino)-oxomethyl]propanamide IUPAC Name: 3-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)propanamide Traditional Name: 3-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(cyclopentylcarbamoyl)propionamide Formula: C21H27BrN4O3S MolecularWeight: 495.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H27BrN4O3S/c1-13(2)12-26-19(28)16-11-14(22)7-8-17(16)24-21(26)30-10-9-18(27)25-20(29)23-15-5-3-4-6-15/h7-8,11,13,15H,3-6,9-10,12H2,1-2H3,(H2,23,25,27,29)