(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[imidazol-1-yl(oxidanyl)phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[imidazol-1-yl(oxidanyl)phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(imidazol-1-yl)phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(1-imidazolyl)phosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(imidazol-1-yl)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-[[[(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-5-[[hydroxy(imidazol-1-yl)thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3,4-diol Formula: C23H28N12O10P2S2 MolecularWeight: 758.620342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)P(=S)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)OP(=S)(O)OCC5C(C(C(O5)N6C=NC7=C6N=CN=C7N)O)O)O

Isomeric SMILES

C1=CN(C=N1)P(=S)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)OP(=S)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CN=C7N)O)O)O

InChI

InChI=1S/C23H28N12O10P2S2/c24-18-12-20(29-5-27-18)34(8-31-12)22-16(38)14(36)10(43-22)4-42-47(40,49)45-17-15(37)11(3-41-46(39,48)33-2-1-26-7-33)44-23(17)35-9-32-13-19(25)28-6-30-21(13)35/h1-2,5-11,14-17,22-23,36-38H,3-4H2,(H,39,48)(H,40,49)(H2,24,27,29)(H2,25,28,30)/t10-,11-,14-,15-,16-,17-,22-,23-,46?,47?/m1/s1