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

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[6-bromo-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[6-bromo-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3CC3)O

Isomeric SMILES

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3CC3)O

InChI

InChI=1S/C16H18BrN3O3S/c1-9(21)7-20-15(23)12-6-10(17)2-5-13(12)19-16(20)24-8-14(22)18-11-3-4-11/h2,5-6,9,11,21H,3-4,7-8H2,1H3,(H,18,22)