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[(2R,3S,4R,5R)-2-(hydroxymethyl)-4-oxidanyl-5-[6-(pyridin-3-ylcarbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate

[(2R,3S,4R,5R)-2-(hydroxymethyl)-4-oxidanyl-5-[6-(pyridin-3-ylcarbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate

Systemtic Name:[(2R,3S,4R,5R)-2-(hydroxymethyl)-4-oxidanyl-5-[6-(pyridin-3-ylcarbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate
Openeye Name:[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]tetrahydrofuran-3-yl] dihydrogen phosphate
CAS Name:[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-[[oxo(3-pyridinyl)methyl]amino]-9-purinyl]-3-oxolanyl] dihydrogen phosphate
IUPAC Name:[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-(pyridine-3-carbonylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate
Traditional Name:[(2R,3S,4R,5R)-4-hydroxy-2-methylol-5-(6-nicotinamidopurin-9-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
Formula: C16H17N6O8P
MolecularWeight: 452.315341
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H17N6O8P/c23-5-9-12(30-31(26,27)28)11(24)16(29-9)22-7-20-10-13(18-6-19-14(10)22)21-15(25)8-2-1-3-17-4-8/h1-4,6-7,9,11-12,16,23-24H,5H2,(H2,26,27,28)(H,18,19,21,25)/t9-,11-,12-,16-/m1/s1


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