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

Systemtic Name: (2R)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanophenyl)propionamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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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=C3C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C

InChI

InChI=1S/C22H21BrN4O2S/c1-13(2)12-27-21(29)17-10-16(23)8-9-19(17)26-22(27)30-14(3)20(28)25-18-7-5-4-6-15(18)11-24/h4-10,13-14H,12H2,1-3H3,(H,25,28)/t14-/m1/s1