[(2R,3S,4R,5R)-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C12H19N6O7P MolecularWeight: 390.289021

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NCCN)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NCCN)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C12H19N6O7P/c13-1-2-14-10-7-11(16-4-15-10)18(5-17-7)12-9(20)8(19)6(25-12)3-24-26(21,22)23/h4-6,8-9,12,19-20H,1-3,13H2,(H,14,15,16)(H2,21,22,23)/t6-,8-,9-,12-/m1/s1