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

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-di(propanoyloxy)tetrahydrofuran-2-yl]methyl propanoate CAS Name: propanoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(1-oxopropoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate Traditional Name: propionic acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-dipropionyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C19H25N5O7S MolecularWeight: 467.4961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O7S/c1-4-10(25)28-7-9-14(30-11(26)5-2)15(31-12(27)6-3)18(29-9)24-8-21-13-16(24)22-19(20)23-17(13)32/h8-9,14-15,18H,4-7H2,1-3H3,(H3,20,22,23,32)