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

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-di(butanoyloxy)oxolan-2-yl]methyl butanoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-di(butanoyloxy)tetrahydrofuran-2-yl]methyl butanoate CAS Name: butanoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(1-oxobutoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(butanoyloxy)oxolan-2-yl]methyl butanoate Traditional Name: butyric acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-dibutyryloxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H31N5O7S MolecularWeight: 509.57584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O7S/c1-4-7-13(28)31-10-12-17(33-14(29)8-5-2)18(34-15(30)9-6-3)21(32-12)27-11-24-16-19(27)25-22(23)26-20(16)35/h11-12,17-18,21H,4-10H2,1-3H3,(H3,23,25,26,35)