2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2R)-butan-2-yl]ethanamide

Systemtic Name: 2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2R)-butan-2-yl]ethanamide Openeye Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1R)-1-methylpropyl]acetamide CAS Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[(2R)-butan-2-yl]acetamide IUPAC Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-butan-2-yl]acetamide Traditional Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[(1R)-1-methylpropyl]acetamide Formula: C19H26BrN3O3S MolecularWeight: 456.39704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCCOCC

Isomeric SMILES

CC[C@@H](C)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCCOCC

InChI

InChI=1S/C19H26BrN3O3S/c1-4-13(3)21-17(24)12-27-19-22-16-8-7-14(20)11-15(16)18(25)23(19)9-6-10-26-5-2/h7-8,11,13H,4-6,9-10,12H2,1-3H3,(H,21,24)/t13-/m1/s1