[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-4-pyridin-4-ylcarbonyloxy-oxolan-3-yl] pyridine-4-carboxylate

Systemtic Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-4-pyridin-4-ylcarbonyloxy-oxolan-3-yl] pyridine-4-carboxylate Openeye Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-4-(pyridine-4-carbonyloxy)tetrahydrofuran-3-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-[oxo(pyridin-4-yl)methoxy]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-(pyridine-4-carbonyloxy)oxolan-3-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(2R,3R,4R,5R)-5-adenin-9-yl-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]-4-isonicotinoyloxy-tetrahydrofuran-3-yl] ester Formula: C22H22N7O15P3 MolecularWeight: 717.369263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)OC2C(OC(C2OC(=O)C3=CC=NC=C3)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CN=CC=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2OC(=O)C3=CC=NC=C3)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C22H22N7O15P3/c23-18-15-19(27-10-26-18)29(11-28-15)20-17(42-22(31)13-3-7-25-8-4-13)16(41-21(30)12-1-5-24-6-2-12)14(40-20)9-39-46(35,36)44-47(37,38)43-45(32,33)34/h1-8,10-11,14,16-17,20H,9H2,(H,35,36)(H,37,38)(H2,23,26,27)(H2,32,33,34)/t14-,16-,17-,20-/m1/s1