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

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-oxidanyl-phosphinothioyl]oxy-oxidanyl-phosphinothioyl]oxy-oxidanyl-phosphinothioyl]oxy-sulfanyl-phosphoryl]oxy-oxidanyl-phosphinothioyl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4-azanyl-pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[[[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl]oxy-hydroxy-phosphinothioyl]oxy-hydroxy-phosphinothioyl]oxy-sulfanyl-phosphoryl]oxy-hydroxy-phosphinothioyl]oxy-hydroxy-phosphinothioyl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[[[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphinothioyl]oxy-hydroxyphosphinothioyl]oxy-mercaptophosphoryl]oxy-hydroxyphosphinothioyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[[[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-hydroxyphosphinothioyl]oxy-hydroxyphosphinothioyl]oxy-sulfanylphosphoryl]oxy-hydroxyphosphinothioyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one Traditional Name: 1-[(2R,3R,4S,5R)-5-[[[[[[[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-thiophosphoryl]oxy-hydroxy-thiophosphoryl]oxy-hydroxy-thiophosphoryl]oxy-mercapto-phosphoryl]oxy-hydroxy-thiophosphoryl]oxy-hydroxy-thiophosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-4-amino-pyrimidin-2-one Formula: C19H30N8O20P6S6 MolecularWeight: 1068.715666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=S)(O)OP(=S)(O)OP(=O)(OP(=S)(O)OP(=S)(O)OP(=S)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)S)O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)OP(=S)(O)OP(=O)(OP(=S)(O)OP(=S)(O)OP(=S)(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/C19H30N8O20P6S6/c20-9-1-2-26(19(32)25-9)17-13(30)11(28)7(41-17)3-39-48(33,54)43-50(35,56)45-52(37,58)47-53(38,59)46-51(36,57)44-49(34,55)40-4-8-12(29)14(31)18(42-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,54)(H,34,55)(H,35,56)(H,36,57)(H,37,58)(H,38,59)(H2,20,25,32)(H2,21,22,23)/t7-,8-,11-,12-,13-,14-,17-,18-,48?,49?,50?,51?,52?,53?/m1/s1