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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N-phenethylacetamide IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-phenethylacetamide Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N-phenethyl-acetamide Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C19H18BrN3O2S/c20-15-6-7-17-22-16(10-19(25)23(17)11-15)12-26-13-18(24)21-9-8-14-4-2-1-3-5-14/h1-7,10-11H,8-9,12-13H2,(H,21,24)