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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)CSCC1=CC(=O)N2C=C(C=CC2=N1)Br

InChI

InChI=1S/C16H20BrN3O2S/c1-3-4-11(2)18-15(21)10-23-9-13-7-16(22)20-8-12(17)5-6-14(20)19-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)/t11-/m0/s1