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

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diphenyl phosphate Openeye Name: [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl diphenyl phosphate CAS Name: phosphoric acid [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl diphenyl ester IUPAC Name: [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diphenyl phosphate Traditional Name: phosphoric acid [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl diphenyl ester Formula: C22H21N4O7PS MolecularWeight: 516.463501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)O)O)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)O)O)OC5=CC=CC=C5

InChI

InChI=1S/C22H21N4O7PS/c27-18-16(31-22(19(18)28)26-13-25-17-20(26)23-12-24-21(17)35)11-30-34(29,32-14-7-3-1-4-8-14)33-15-9-5-2-6-10-15/h1-10,12-13,16,18-19,22,27-28H,11H2,(H,23,24,35)