[3,4-di(pentanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl pentanoate

Systemtic Name: [3,4-di(pentanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl pentanoate Openeye Name: [3,4-di(pentanoyloxy)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl pentanoate CAS Name: pentanoic acid [3,4-bis(1-oxopentoxy)-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-di(pentanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl pentanoate Traditional Name: valeric acid [5-(6-thioxo-3H-purin-9-yl)-3,4-divaleryloxy-tetrahydrofuran-2-yl]methyl ester Formula: C25H36N4O7S MolecularWeight: 536.64094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O7S/c1-4-7-10-17(30)33-13-16-21(35-18(31)11-8-5-2)22(36-19(32)12-9-6-3)25(34-16)29-15-28-20-23(29)26-14-27-24(20)37/h14-16,21-22,25H,4-13H2,1-3H3,(H,26,27,37)