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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(4-methoxyphenyl)propanamide Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(4-methoxyphenyl)propanamide CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N-(4-methoxyphenyl)propanamide IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(4-methoxyphenyl)propanamide Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N-(4-methoxyphenyl)propionamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)SCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-12(19(25)22-14-4-6-16(26-2)7-5-14)27-11-15-9-18(24)23-10-13(20)3-8-17(23)21-15/h3-10,12H,11H2,1-2H3,(H,22,25)