1-(2-azanylethyl)-5-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-azanylethyl)-5-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-aminoethyl)-5-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-aminoethyl)-5-[(3-nitrophenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-aminoethyl)-5-[(3-nitrophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-aminoethyl)-5-(3-nitrobenzyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H14N6O3 MolecularWeight: 314.29936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(C2=O)C=NN3CCN

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(C2=O)C=NN3CCN

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