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

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-bis(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(2-methyl-1-oxopropoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-diisobutyryloxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H31N5O7S MolecularWeight: 509.57584

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H31N5O7S/c1-9(2)19(28)31-7-12-14(33-20(29)10(3)4)15(34-21(30)11(5)6)18(32-12)27-8-24-13-16(27)25-22(23)26-17(13)35/h8-12,14-15,18H,7H2,1-6H3,(H3,23,25,26,35)