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

Systemtic Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-sulfanyl-phosphoryl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-mercaptophosphoryl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-[[[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-mercapto-phosphoryl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3,4-diol Formula: C20H26N10O11P2S2 MolecularWeight: 708.558362

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=S)(O)OP(=O)(OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)S)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)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)O

InChI

InChI=1S/C20H26N10O11P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(39-19)1-37-42(35,44)41-43(36,45)38-2-8-12(32)14(34)20(40-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,44)(H,36,45)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-,42?,43?/m1/s1