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

Systemtic Name: [3-(5-methyl-2-phenylmethoxy-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(2-benzyloxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(5-methyl-2-phenylmethoxy-7-pyrazolo[1,5-a]pyrimidinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(5-methyl-2-phenylmethoxypyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(2-benzoxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Formula: C17H21N3O7P2 MolecularWeight: 441.312062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O7P2/c1-12-9-14(7-8-17(28(21,22)23)29(24,25)26)20-15(18-12)10-16(19-20)27-11-13-5-3-2-4-6-13/h2-6,9-10,17H,7-8,11H2,1H3,(H2,21,22,23)(H2,24,25,26)