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

Systemtic Name: N-(3-nitrophenyl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-benzyl-N-(3-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-nitrophenyl)-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-benzyl-N-(3-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)-(3-nitrophenyl)amine Formula: C18H14N6O2 MolecularWeight: 346.34276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O2/c25-24(26)15-8-4-7-14(9-15)22-17-16-10-21-23(18(16)20-12-19-17)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,19,20,22)