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

Systemtic Name: (2S)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(methylcarbamoyl)propionamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NC

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)SC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)C

InChI

InChI=1S/C17H21BrN4O3S/c1-9(2)8-22-15(24)12-7-11(18)5-6-13(12)20-17(22)26-10(3)14(23)21-16(25)19-4/h5-7,9-10H,8H2,1-4H3,(H2,19,21,23,25)/t10-/m0/s1