1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-imine; sulfuric acid

Systemtic Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-imine; sulfuric acid Openeye Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(2-pyridylmethyl)pyrazolo[3,4-d]pyrimidin-4-imine; sulfuric acid CAS Name: 1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-(2-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinimine; sulfuric acid IUPAC Name: 1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)-5-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-imine; sulfuric acid Traditional Name: [1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(2-pyridylmethyl)pyrazolo[3,4-d]pyrimidin-4-ylidene]amine; sulfuric acid Formula: C16H19N9O10S2 MolecularWeight: 561.50636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C3=C2C(=N)N(C=N3)CC4=CC=CC=N4)C)[N+](=O)[O-].OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

CN1C(=CN=C1C2=NN(C3=C2C(=N)N(C=N3)CC4=CC=CC=N4)C)[N+](=O)[O-].OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C16H15N9O2.2H2O4S/c1-22-11(25(26)27)7-19-16(22)13-12-14(17)24(8-10-5-3-4-6-18-10)9-20-15(12)23(2)21-13;2*1-5(2,3)4/h3-7,9,17H,8H2,1-2H3;2*(H2,1,2,3,4)