(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl N'-methylcarbamimidothioate

Systemtic Name: (5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(5-hydroxy-4-oxo-pyran-2-yl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (5-hydroxy-4-oxo-2-pyranyl)methyl ester IUPAC Name: (5-hydroxy-4-oxopyran-2-yl)methyl N'-methylcarbamimidothioate Traditional Name: 2-[(5-hydroxy-4-keto-pyran-2-yl)methyl]-3-methyl-isothiourea Formula: C8H10N2O3S MolecularWeight: 214.2416

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCC1=CC(=O)C(=CO1)O

Isomeric SMILES

CN=C(N)SCC1=CC(=O)C(=CO1)O

InChI

InChI=1S/C8H10N2O3S/c1-10-8(9)14-4-5-2-6(11)7(12)3-13-5/h2-3,12H,4H2,1H3,(H2,9,10)