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

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-butan-2-yl-ethanamide Openeye Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-butan-2-ylacetamide IUPAC Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-butan-2-ylacetamide Traditional Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-sec-butyl-acetamide Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)O

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(C)O

InChI

InChI=1S/C17H22BrN3O3S/c1-4-10(2)19-15(23)9-25-17-20-14-6-5-12(18)7-13(14)16(24)21(17)8-11(3)22/h5-7,10-11,22H,4,8-9H2,1-3H3,(H,19,23)