[3-(2,5-dimethyl-3-nitro-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(2,5-dimethyl-3-nitro-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(2,5-dimethyl-3-nitro-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(2,5-dimethyl-3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(2,5-dimethyl-3-nitropyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(2,5-dimethyl-3-nitro-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Formula: C11H16N4O8P2 MolecularWeight: 394.214262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O8P2/c1-6-5-8(3-4-9(24(18,19)20)25(21,22)23)14-11(12-6)10(15(16)17)7(2)13-14/h5,9H,3-4H2,1-2H3,(H2,18,19,20)(H2,21,22,23)