[azanyl-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]methylidene]azanium Openeye Name: [amino-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]methylene]ammonium CAS Name: [amino-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]methylidene]ammonium IUPAC Name: [amino-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]methylidene]azanium Traditional Name: [amino-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylthio]methylene]ammonium Formula: C13H13N6OS+ MolecularWeight: 301.34692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC(=[NH2+])N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC(=[NH2+])N

InChI

InChI=1S/C13H12N6OS/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)/p+1