[[[[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-oxidanyl-phosphoryl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[[[(1S,4R)-4-(2-azanyl-6-chloranyl-purin-9-yl)cyclopent-2-en-1-yl]methoxy-oxidanidyl-phosphinothioyl]oxy-oxidanyl-phosphoryl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[[[(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl]methoxy-oxido-phosphinothioyl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid CAS Name: [[[[(1S,4R)-4-(2-amino-6-chloro-9-purinyl)-1-cyclopent-2-enyl]methoxy-oxidophosphinothioyl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid IUPAC Name: [[[[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methoxy-oxidophosphinothioyl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid Traditional Name: [[[[(1S,4R)-4-(2-amino-6-chloro-purin-9-yl)cyclopent-2-en-1-yl]methoxy-oxido-thiophosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid Formula: C12H14ClF2N5O8P3S- MolecularWeight: 554.704349

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2N=C(N=C3Cl)N)COP(=S)([O-])OP(=O)(C(F)(F)P(=O)(O)O)O

Isomeric SMILES

C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=C(N=C3Cl)N)COP(=S)([O-])OP(=O)(C(F)(F)P(=O)(O)O)O

InChI

InChI=1S/C12H15ClF2N5O8P3S/c13-9-8-10(19-11(16)18-9)20(5-17-8)7-2-1-6(3-7)4-27-31(26,32)28-30(24,25)12(14,15)29(21,22)23/h1-2,5-7H,3-4H2,(H,24,25)(H,26,32)(H2,16,18,19)(H2,21,22,23)/p-1/t6-,7+,31?/m1/s1