2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-1-ium-2-yl-ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-1-ium-2-yl-ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-1-ium-2-yl-acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pyridin-1-ium-2-ylacetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-pyridin-1-ium-2-yl-acetamide Formula: C11H12N5O2S+ MolecularWeight: 278.31028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC=[NH+]C(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C11H11N5O2S/c12-7-5-9(17)16-11(14-7)19-6-10(18)15-8-3-1-2-4-13-8/h1-5H,6H2,(H,13,15,18)(H3,12,14,16,17)/p+1