2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N-pentan-3-ylacetamide IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N-(1-ethylpropyl)acetamide Formula: C16H20BrN3O2S MolecularWeight: 398.3179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSCC1=CC(=O)N2C=C(C=CC2=N1)Br

Isomeric SMILES

CCC(CC)NC(=O)CSCC1=CC(=O)N2C=C(C=CC2=N1)Br

InChI

InChI=1S/C16H20BrN3O2S/c1-3-12(4-2)19-15(21)10-23-9-13-7-16(22)20-8-11(17)5-6-14(20)18-13/h5-8,12H,3-4,9-10H2,1-2H3,(H,19,21)