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

Systemtic Name: 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-propanamide Openeye Name: 2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-cyclopropyl-propanamide CAS Name: 2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylpropanamide Traditional Name: 2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-cyclopropyl-propionamide Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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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)NC3CC3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3CC3

InChI

InChI=1S/C18H22BrN3O2S/c1-10(2)9-22-17(24)14-8-12(19)4-7-15(14)21-18(22)25-11(3)16(23)20-13-5-6-13/h4,7-8,10-11,13H,5-6,9H2,1-3H3,(H,20,23)