[4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)-3-phosphonooxy-oxolan-2-yl]methyl sulfo hydrogen phosphate

Systemtic Name: [4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)-3-phosphonooxy-oxolan-2-yl]methyl sulfo hydrogen phosphate Openeye Name: [4-hydroxy-5-(6-oxo-3H-purin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate CAS Name: [4-hydroxy-5-(6-oxo-3H-purin-9-yl)-3-phosphonooxy-2-oxolanyl]methyl sulfo hydrogen phosphate IUPAC Name: [4-hydroxy-5-(6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate Traditional Name: [4-hydroxy-5-(6-keto-3H-purin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl sulfo hydrogen phosphate Formula: C10H14N4O14P2S MolecularWeight: 508.249082

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O

InChI

InChI=1S/C10H14N4O14P2S/c15-6-7(27-29(17,18)19)4(1-25-30(20,21)28-31(22,23)24)26-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,20,21)(H,11,12,16)(H2,17,18,19)(H,22,23,24)