6-[(diazonioamino)methyl]-4-oxidanylidene-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-[(diazonioamino)methyl]-4-oxidanylidene-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-6-[(diazonioamino)methyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 6-[(diazonioamino)methyl]-4-oxo-1-(phenylmethyl)-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-6-[(diazonioamino)methyl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-6-[(diazonioamino)methyl]-4-keto-2H-pyrazolo[3,4-d]pyrimidine Formula: C13H12N7O+ MolecularWeight: 282.28068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=CN2)CN[N+]#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=CN2)CN[N+]#N

InChI

InChI=1S/C13H11N7O/c14-19-15-7-11-17-12-10(13(21)18-11)6-16-20(12)8-9-4-2-1-3-5-9/h1-6,15H,7-8H2/p+1