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

Systemtic Name: [3-(2-hexoxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(2-hexoxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(2-hexoxy-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(2-hexoxy-5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(2-hexoxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Formula: C16H27N3O7P2 MolecularWeight: 435.349002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NN2C(=CC(=NC2=C1)C)CCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCOC1=NN2C(=CC(=NC2=C1)C)CCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H27N3O7P2/c1-3-4-5-6-9-26-15-11-14-17-12(2)10-13(19(14)18-15)7-8-16(27(20,21)22)28(23,24)25/h10-11,16H,3-9H2,1-2H3,(H2,20,21,22)(H2,23,24,25)