[[[[(1S,4R)-4-(2-azanyl-6-oxidanylidene-3H-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-oxidanylidene-3H-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-oxo-3H-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-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]methoxy-oxidophosphinothioyl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid IUPAC Name: [[[[(1S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methoxy-oxidophosphinothioyl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid Traditional Name: [[[[(1S,4R)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]methoxy-oxido-thiophosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid Formula: C12H15F2N5O9P3S- MolecularWeight: 536.258689

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2NC(=NC3=O)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=C2NC(=NC3=O)N)COP(=S)([O-])OP(=O)(C(F)(F)P(=O)(O)O)O

InChI

InChI=1S/C12H16F2N5O9P3S/c13-12(14,29(21,22)23)30(24,25)28-31(26,32)27-4-6-1-2-7(3-6)19-5-16-8-9(19)17-11(15)18-10(8)20/h1-2,5-7H,3-4H2,(H,24,25)(H,26,32)(H2,21,22,23)(H3,15,17,18,20)/p-1/t6-,7+,31?/m1/s1