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

Systemtic Name: [3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diethyl phosphate Openeye Name: [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl diethyl phosphate CAS Name: phosphoric acid [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl diethyl ester IUPAC Name: [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl diethyl phosphate Traditional Name: phosphoric acid [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl diethyl ester Formula: C14H21N4O7PS MolecularWeight: 420.377901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O

Isomeric SMILES

CCOP(=O)(OCC)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O

InChI

InChI=1S/C14H21N4O7PS/c1-3-22-26(21,23-4-2)24-5-8-10(19)11(20)14(25-8)18-7-17-9-12(18)15-6-16-13(9)27/h6-8,10-11,14,19-20H,3-5H2,1-2H3,(H,15,16,27)