2-[5-[(3-nitrophenyl)methyl]-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium

Systemtic Name: 2-[5-[(3-nitrophenyl)methyl]-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Openeye Name: 2-[5-[(3-nitrophenyl)methyl]-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[5-[(3-nitrophenyl)methyl]-4-oxo-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-[5-[(3-nitrophenyl)methyl]-4-oxopyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Traditional Name: 2-[4-keto-5-(3-nitrobenzyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C14H15N6O3+ MolecularWeight: 315.3073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(C2=O)C=NN3CC[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(C2=O)C=NN3CC[NH3+]

InChI

InChI=1S/C14H14N6O3/c15-4-5-19-13-12(7-17-19)14(21)18(9-16-13)8-10-2-1-3-11(6-10)20(22)23/h1-3,6-7,9H,4-5,8,15H2/p+1