[5-cyano-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl carbamimidothioate hydrochloride

Systemtic Name: [5-cyano-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl carbamimidothioate hydrochloride Openeye Name: 2-[(5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl ester hydrochloride IUPAC Name: (5-cyano-2,4-dioxo-1H-pyrimidin-6-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(5-cyano-2,4-diketo-1H-pyrimidin-6-yl)methyl]isothiourea hydrochloride Formula: C7H8ClN5O2S MolecularWeight: 261.68872

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=O)NC(=O)N1)C#N)SC(=N)N.Cl

Isomeric SMILES

C(C1=C(C(=O)NC(=O)N1)C#N)SC(=N)N.Cl

InChI

InChI=1S/C7H7N5O2S.ClH/c8-1-3-4(2-15-6(9)10)11-7(14)12-5(3)13;/h2H2,(H3,9,10)(H2,11,12,13,14);1H