2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C13H10N7OS+ MolecularWeight: 312.3298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N7OS/c14-5-8-4-9(6-15)12(20-11(8)16)22-7-10(21)19-13-17-2-1-3-18-13/h1-4H,7H2,(H2,16,20)(H,17,18,19,21)/p+1