[3,4-bis(2-methylpropanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 2-methylpropanoate

Systemtic Name: [3,4-bis(2-methylpropanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 2-methylpropanoate Openeye Name: [3,4-bis(2-methylpropanoyloxy)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3,4-bis(2-methyl-1-oxopropoxy)-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-bis(2-methylpropanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3,4-diisobutyryloxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C22H30N4O7S MolecularWeight: 494.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)C(C)C)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)C(C)C)OC(=O)C(C)C

InChI

InChI=1S/C22H30N4O7S/c1-10(2)20(27)30-7-13-15(32-21(28)11(3)4)16(33-22(29)12(5)6)19(31-13)26-9-25-14-17(26)23-8-24-18(14)34/h8-13,15-16,19H,7H2,1-6H3,(H,23,24,34)