bis[[3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl] hydrogen phosphate

Systemtic Name: bis[[3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl] hydrogen phosphate Openeye Name: bis[[3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] hydrogen phosphate CAS Name: bis[[3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl] hydrogen phosphate IUPAC Name: bis[[3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl] hydrogen phosphate Traditional Name: bis[[3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] hydrogen phosphate Formula: C20H23N8O10PS2 MolecularWeight: 630.547981

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5NC=NC6=S)O)O)O)O

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5NC=NC6=S)O)O)O)O

InChI

InChI=1S/C20H23N8O10PS2/c29-11-7(37-19(13(11)31)27-5-25-9-15(27)21-3-23-17(9)40)1-35-39(33,34)36-2-8-12(30)14(32)20(38-8)28-6-26-10-16(28)22-4-24-18(10)41/h3-8,11-14,19-20,29-32H,1-2H2,(H,33,34)(H,21,23,40)(H,22,24,41)