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

Systemtic Name: (2R)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-propanamide Openeye Name: (2R)-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: (2R)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-phenylpropanamide IUPAC Name: (2R)-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: (2R)-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-phenyl-propionamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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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=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C

InChI

InChI=1S/C21H22BrN3O2S/c1-13(2)12-25-20(27)17-11-15(22)9-10-18(17)24-21(25)28-14(3)19(26)23-16-7-5-4-6-8-16/h4-11,13-14H,12H2,1-3H3,(H,23,26)/t14-/m1/s1