[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-oxolan-3-yl]oxy-sulfanyl-phosphinic acid

Systemtic Name: [(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-oxolan-3-yl]oxy-sulfanyl-phosphinic acid Openeye Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-4-methoxy-tetrahydrofuran-3-yl]oxy-sulfanyl-phosphinic acid CAS Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-methoxy-3-oxolanyl]oxy-mercaptophosphinic acid IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-sulfanylphosphinic acid Traditional Name: [(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-5-adenin-9-yl-4-methoxy-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-5-(4-amino-2-keto-pyrimidin-1-yl)-4-methoxy-tetrahydrofuran-3-yl]oxy-mercapto-phosphinic acid Formula: C21H30N8O12P2S2 MolecularWeight: 712.586822

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OP(=S)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)OC)OP(=O)(O)S

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)OP(=S)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)OC)OP(=O)(O)S

InChI

InChI=1S/C21H30N8O12P2S2/c1-35-15-13(9(5-30)38-20(15)29-8-26-12-17(23)24-7-25-18(12)29)41-43(34,45)37-6-10-14(40-42(32,33)44)16(36-2)19(39-10)28-4-3-11(22)27-21(28)31/h3-4,7-10,13-16,19-20,30H,5-6H2,1-2H3,(H,34,45)(H2,22,27,31)(H2,23,24,25)(H2,32,33,44)/t9-,10-,13-,14-,15-,16-,19-,20-,43?/m1/s1