[(2R,3S,4R,5R)-5-(4-aminocarbonyl-3H-1,2,3-thiadiazol-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]methyl]phosphinate

Systemtic Name: [(2R,3S,4R,5R)-5-(4-aminocarbonyl-3H-1,2,3-thiadiazol-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]methyl]phosphinate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoyl-3H-thiadiazol-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]methyl]phosphinate CAS Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoyl-3H-thiadiazol-2-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]methyl]phosphinate IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoyl-3H-thiadiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]methyl]phosphinate Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-[[[(2R,3S,4R,5R)-5-(4-carbamoyl-3H-thiadiazol-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]methyl]phosphinate Formula: C19H26N8O13P2S-2 MolecularWeight: 668.468062

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NN(S1)C2C(C(C(O2)COP(=O)(CP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)[O-])O)O)C(=O)N

Isomeric SMILES

C1=C(NN(S1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)[O-])O)O)C(=O)N

InChI

InChI=1S/C19H28N8O13P2S/c20-15-10-17(23-4-22-15)26(5-24-10)18-13(30)11(28)8(39-18)1-37-41(33,34)6-42(35,36)38-2-9-12(29)14(31)19(40-9)27-25-7(3-43-27)16(21)32/h3-5,8-9,11-14,18-19,25,28-31H,1-2,6H2,(H2,21,32)(H,33,34)(H,35,36)(H2,20,22,23)/p-2/t8?,9-,11?,12-,13?,14-,18?,19-/m1/s1