N-[4-azanyl-6-(dimethylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]-3-nitro-benzamide

Systemtic Name: N-[4-azanyl-6-(dimethylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]-3-nitro-benzamide Openeye Name: N-[4-amino-6-(dimethylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]-3-nitro-benzamide CAS Name: N-[4-amino-6-(dimethylamino)-1-methyl-3-pyrazolo[3,4-d]pyrimidinyl]-3-nitrobenzamide IUPAC Name: N-[4-amino-6-(dimethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]-3-nitrobenzamide Traditional Name: N-[4-amino-6-(dimethylamino)-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl]-3-nitro-benzamide Formula: C15H16N8O3 MolecularWeight: 356.33934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)N(C)C)N)C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=NC(=N2)N(C)C)N)C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N8O3/c1-21(2)15-17-11(16)10-12(20-22(3)13(10)19-15)18-14(24)8-5-4-6-9(7-8)23(25)26/h4-7H,1-3H3,(H2,16,17,19)(H,18,20,24)