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

Systemtic Name: [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate Openeye Name: [3,4-di(butanoyloxy)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl butanoate CAS Name: butanoic acid [3,4-bis(1-oxobutoxy)-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate Traditional Name: butyric acid [3,4-dibutyryloxy-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O7S/c1-4-7-14(27)30-10-13-18(32-15(28)8-5-2)19(33-16(29)9-6-3)22(31-13)26-12-25-17-20(26)23-11-24-21(17)34/h11-13,18-19,22H,4-10H2,1-3H3,(H,23,24,34)