[(3R,4R)-5-(2-acetamido-6-oxidanylidene-7-prop-2-enyl-8-sulfanylidene-3H-purin-9-yl)-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(3R,4R)-5-(2-acetamido-6-oxidanylidene-7-prop-2-enyl-8-sulfanylidene-3H-purin-9-yl)-3,4-diacetyloxy-oxolan-2-yl]methyl ethanoate Openeye Name: [(3R,4R)-5-(2-acetamido-7-allyl-6-oxo-8-thioxo-3H-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(3R,4R)-5-(2-acetamido-6-oxo-7-prop-2-enyl-8-sulfanylidene-3H-purin-9-yl)-3,4-diacetyloxy-2-oxolanyl]methyl ester IUPAC Name: [(3R,4R)-5-(2-acetamido-6-oxo-7-prop-2-enyl-8-sulfanylidene-3H-purin-9-yl)-3,4-diacetyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(3R,4R)-5-(2-acetamido-7-allyl-6-keto-8-thioxo-3H-purin-9-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H25N5O9S MolecularWeight: 523.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=S)N2CC=C)C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=S)N2CC=C)C3[C@@H]([C@@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H25N5O9S/c1-6-7-25-14-17(23-20(22-9(2)27)24-18(14)31)26(21(25)36)19-16(34-12(5)30)15(33-11(4)29)13(35-19)8-32-10(3)28/h6,13,15-16,19H,1,7-8H2,2-5H3,(H2,22,23,24,27,31)/t13?,15-,16-,19?/m1/s1