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

Systemtic Name: 2-azanyl-6-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(2,4-dioxo-1H-pyrimidin-6-yl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2,4-diketo-1H-pyrimidin-6-yl)methylthio]pyridin-1-ium-3,5-dicarbonitrile Formula: C12H9N6O2S+ MolecularWeight: 301.30386

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=O)NC1=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C1=C(NC(=O)NC1=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C12H8N6O2S/c13-3-6-1-7(4-14)11(18-10(6)15)21-5-8-2-9(19)17-12(20)16-8/h1-2H,5H2,(H2,15,18)(H2,16,17,19,20)/p+1