7-bromanyl-6-methylsulfanyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one

Systemtic Name: 7-bromanyl-6-methylsulfanyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one Openeye Name: 7-bromo-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]-6-methylsulfanyl-quinazolin-4-one CAS Name: 7-bromo-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-6-(methylthio)-4-quinazolinone IUPAC Name: 7-bromo-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-6-methylsulfanylquinazolin-4-one Traditional Name: 7-bromo-3-[3-(3-hydroxy-2-piperidyl)-2-keto-propyl]-6-(methylthio)quinazolin-4-one Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O)Br

Isomeric SMILES

CSC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-25-16-6-11-13(7-12(16)18)20-9-21(17(11)24)8-10(22)5-14-15(23)3-2-4-19-14/h6-7,9,14-15,19,23H,2-5,8H2,1H3