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

Systemtic Name: 2-azanyl-6-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]pyridin-1-ium-3,5-dicarbonitrile Formula: C16H11BrN6OS+2 MolecularWeight: 415.26714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=[N+](C=C1Br)C(=O)C=C(N2)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC2=[N+](C=C1Br)C(=O)C=C(N2)CSC3=C(C=C(C(=[NH+]3)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)/p+2