(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl ester hydrochloride IUPAC Name: (4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]isothiourea hydrochloride Formula: C13H13ClN6OS MolecularWeight: 336.79992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC(=N)N.Cl

InChI

InChI=1S/C13H12N6OS.ClH/c14-13(15)21-7-10-17-11-9(12(20)18-10)6-16-19(11)8-4-2-1-3-5-8;/h1-6,16H,7H2,(H3,14,15);1H