2-azanyl-6-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]dinicotinonitrile Formula: C16H9BrN6OS MolecularWeight: 413.25126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)CSC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)CSC3=C(C=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C16H9BrN6OS/c17-11-1-2-13-21-12(4-14(24)23(13)7-11)8-25-16-10(6-19)3-9(5-18)15(20)22-16/h1-4,7H,8H2,(H2,20,22)