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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylpyridin-1-ium-2-yl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylpyridin-1-ium-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-methyl-2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylpyridin-1-ium-2-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(4-methylpyridin-1-ium-2-yl)acetamide Formula: C12H14N5O2S+ MolecularWeight: 292.33686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C12H13N5O2S/c1-7-2-3-14-9(4-7)16-11(19)6-20-12-15-8(13)5-10(18)17-12/h2-5H,6H2,1H3,(H,14,16,19)(H3,13,15,17,18)/p+1