2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-chlorophenyl)propanamide

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-chlorophenyl)propanamide Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-chlorophenyl)propanamide CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N-(2-chlorophenyl)propanamide IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(2-chlorophenyl)propanamide Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N-(2-chlorophenyl)propionamide Formula: C18H15BrClN3O2S MolecularWeight: 452.7526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)SCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1Cl)SCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C18H15BrClN3O2S/c1-11(18(25)22-15-5-3-2-4-14(15)20)26-10-13-8-17(24)23-9-12(19)6-7-16(23)21-13/h2-9,11H,10H2,1H3,(H,22,25)