[(2R,3S,4R,5R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C12H15N5O10P2 MolecularWeight: 451.222522

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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)(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)(O)O)O)O

InChI

InChI=1S/C12H15N5O10P2/c18-8-6(3-25-29(23,24)27-28(20,21)22)26-12(9(8)19)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-19H,3H2,(H,23,24)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1