N-[(3-nitrophenyl)methylideneamino]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(3-nitrophenyl)methylideneamino]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-benzyl-N-[(3-nitrophenyl)methyleneamino]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(3-nitrophenyl)methylideneamino]-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-benzyl-N-[(3-nitrophenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)-[(3-nitrobenzylidene)amino]amine Formula: C19H15N7O2 MolecularWeight: 373.3681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O2/c27-26(28)16-8-4-7-15(9-16)10-22-24-18-17-11-23-25(19(17)21-13-20-18)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,20,21,24)