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

Systemtic Name: 6-chloranyl-7-methylsulfanyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one Openeye Name: 6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]-7-methylsulfanyl-quinazolin-4-one CAS Name: 6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-7-(methylthio)-4-quinazolinone IUPAC Name: 6-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-7-methylsulfanylquinazolin-4-one Traditional Name: 6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-keto-propyl]-7-(methylthio)quinazolin-4-one Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)N=CN(C2=O)CC(=O)CC3C(CCCN3)O)Cl

Isomeric SMILES

CSC1=C(C=C2C(=C1)N=CN(C2=O)CC(=O)CC3C(CCCN3)O)Cl

InChI

InChI=1S/C17H20ClN3O3S/c1-25-16-7-13-11(6-12(16)18)17(24)21(9-20-13)8-10(22)5-14-15(23)3-2-4-19-14/h6-7,9,14-15,19,23H,2-5,8H2,1H3