[[[[(2R,3S,4R,5R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid

Systemtic Name: [[[[(2R,3S,4R,5R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid Openeye Name: [[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid CAS Name: [[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid IUPAC Name: [[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid Traditional Name: [[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid Formula: C12H17N6O12P3 MolecularWeight: 530.217663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C=NC3=C(C2=N1)N=CN3C4C(C(C(O4)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O

Isomeric SMILES

C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O

InChI

InChI=1S/C12H17N6O12P3/c19-8-6(3-28-33(26,27)30-32(24,25)16-31(21,22)23)29-12(9(8)20)18-5-14-7-10-13-1-2-17(10)4-15-11(7)18/h1-2,4-6,8-9,12,19-20H,3H2,(H,26,27)(H4,16,21,22,23,24,25)/t6-,8-,9-,12-/m1/s1