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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-tert-butyl-propanamide Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-tert-butyl-propanamide CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-N-tert-butylpropanamide IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-tert-butylpropanamide Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-N-tert-butyl-propionamide Formula: C16H20BrN3O2S MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SCC1=CC(=O)N2C=C(C=CC2=N1)Br

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SCC1=CC(=O)N2C=C(C=CC2=N1)Br

InChI

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