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

Systemtic Name: (2R)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide Openeye Name: (2R)-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-fluorophenyl)propanamide CAS Name: (2R)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-fluorophenyl)propanamide IUPAC Name: (2R)-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide Traditional Name: (2R)-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-fluorophenyl)propionamide Formula: C21H21BrFN3O2S MolecularWeight: 478.377743

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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)NC3=CC=CC=C3F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1F)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C

InChI

InChI=1S/C21H21BrFN3O2S/c1-12(2)11-26-20(28)15-10-14(22)8-9-17(15)25-21(26)29-13(3)19(27)24-18-7-5-4-6-16(18)23/h4-10,12-13H,11H2,1-3H3,(H,24,27)/t13-/m1/s1