2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)azaniumyl]ethanoate

Systemtic Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)azaniumyl]ethanoate Openeye Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ammonio]acetate CAS Name: 2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)ammonio]acetate IUPAC Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)azaniumyl]acetate Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ammonio]acetate Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)[NH2+]CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C13H11N5O2/c19-11(20)7-14-12-10-6-17-18(13(10)16-8-15-12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,19,20)(H,14,15,16)