[(2R,3S,4S,5R)-5-(4-aminocarbonyl-1,3-thiazol-2-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [(2R,3S,4S,5R)-5-(4-aminocarbonyl-1,3-thiazol-2-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoylthiazol-2-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-2-thiazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S,5R)-5-(4-carbamoylthiazol-2-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate Formula: C19H25N7O14P2S MolecularWeight: 669.452822

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)C2C(C(C(O2)CO)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)C(=O)N

Isomeric SMILES

C1=C(N=C(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)C(=O)N

InChI

InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-11(29)10(28)8(38-19)2-36-41(32,33)40-42(34,35)39-13-7(1-27)37-14(12(13)30)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1