1-[(2R,3R,4S,5R)-5-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphinothioyl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,3R,4S,5R)-5-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphinothioyl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 1-[(2R,3R,4S,5R)-5-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-sulfanyl-phosphoryl]oxy-hydroxy-phosphinothioyl]oxy-hydroxy-phosphinothioyl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione CAS Name: 1-[(2R,3R,4S,5R)-5-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-mercaptophosphoryl]oxy-hydroxyphosphinothioyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]pyrimidine-2,4-dione IUPAC Name: 1-[(2R,3R,4S,5R)-5-[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-hydroxyphosphinothioyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione Traditional Name: 1-[(2R,3R,4S,5R)-5-[[[[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-mercapto-phosphoryl]oxy-hydroxy-thiophosphoryl]oxy-hydroxy-thiophosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C19H26N7O15P3S3 MolecularWeight: 781.563923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=S)(O)OP(=S)(O)OP(=O)(OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)S)O)O

Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)OP(=S)(O)OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)S)O)O

InChI

InChI=1S/C19H26N7O15P3S3/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(31)12(29)8(39-18)4-37-43(34,46)41-44(35,47)40-42(33,45)36-3-7-11(28)13(30)17(38-7)25-2-1-9(27)24-19(25)32/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,45)(H,34,46)(H,35,47)(H2,20,21,22)(H,24,27,32)/t7-,8-,11-,12-,13-,14-,17-,18-,42?,43?,44?/m1/s1