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

Systemtic Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-imine dihydrochloride Openeye Name: 1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(4-pyridylmethyl)pyrazolo[3,4-d]pyrimidin-4-imine dihydrochloride CAS Name: 1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-d]pyrimidinimine dihydrochloride IUPAC Name: 1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)-5-(pyridin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-imine dihydrochloride Traditional Name: [1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-(4-pyridylmethyl)pyrazolo[3,4-d]pyrimidin-4-ylidene]amine dihydrochloride Formula: C16H17Cl2N9O2 MolecularWeight: 438.27128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C3=C2C(=N)N(C=N3)CC4=CC=NC=C4)C)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CN1C(=CN=C1C2=NN(C3=C2C(=N)N(C=N3)CC4=CC=NC=C4)C)[N+](=O)[O-].Cl.Cl

InChI

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