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

Systemtic Name: [3-(3-chloranyl-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(3-chloro-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(3-chloro-5-methyl-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(3-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(3-chloro-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Formula: C16H18ClN3O6P2 MolecularWeight: 445.731142

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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)C3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O6P2/c1-10-9-12(7-8-13(27(21,22)23)28(24,25)26)20-16(18-10)14(17)15(19-20)11-5-3-2-4-6-11/h2-6,9,13H,7-8H2,1H3,(H2,21,22,23)(H2,24,25,26)