N-(4-azanylidene-2-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-nitro-benzamide

Systemtic Name: N-(4-azanylidene-2-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-nitro-benzamide Openeye Name: N-(4-imino-2-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-nitro-benzamide CAS Name: N-(4-imino-2-methyl-5-pyrazolo[3,4-d]pyrimidinyl)-4-nitrobenzamide IUPAC Name: N-(4-imino-2-methylpyrazolo[3,4-d]pyrimidin-5-yl)-4-nitrobenzamide Traditional Name: N-(4-imino-2-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-4-nitro-benzamide Formula: C13H11N7O3 MolecularWeight: 313.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=N)N(C=NC2=N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C2C(=N)N(C=NC2=N1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N7O3/c1-18-6-10-11(14)19(7-15-12(10)16-18)17-13(21)8-2-4-9(5-3-8)20(22)23/h2-7,14H,1H3,(H,17,21)