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

Systemtic Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl]oxy-sulfanyl-phosphoryl]oxymethyl]oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy-sulfanyl-phosphoryl]oxymethyl]tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy-mercaptophosphoryl]oxymethyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-sulfanylphosphoryl]oxymethyl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-[[[[(2R,3R,4R,5R)-5-adenin-9-yl-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-thiophosphoryl]oxy-mercapto-phosphoryl]oxymethyl]tetrahydrofuran-3,4-diol Formula: C21H28N10O11P2S2 MolecularWeight: 722.584942

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OP(=O)(OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)S)O

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OP(=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)S)O

InChI

InChI=1S/C21H28N10O11P2S2/c1-37-15-13(33)9(41-21(15)31-7-29-11-17(23)25-5-27-19(11)31)3-39-44(36,46)42-43(35,45)38-2-8-12(32)14(34)20(40-8)30-6-28-10-16(22)24-4-26-18(10)30/h4-9,12-15,20-21,32-34H,2-3H2,1H3,(H,35,45)(H,36,46)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-,43?,44?/m1/s1