N-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-phenoxy-phosphonamidic acid

Systemtic Name: N-[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-phenoxy-phosphonamidic acid Openeye Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-phenoxy-phosphonamidic acid CAS Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]-phenoxyphosphonamidic acid IUPAC Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-phenoxyphosphonamidic acid Traditional Name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]-phenoxy-phosphonamidic acid Formula: C16H18N5O7P MolecularWeight: 423.317181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C16H18N5O7P/c22-6-10-12(23)13(24)16(27-10)21-8-19-11-14(17-7-18-15(11)21)20-29(25,26)28-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H2,17,18,20,25,26)/t10-,12-,13-,16-/m1/s1