[3,4,5-triacetyloxy-6-[(6-azanyl-7H-purin-8-yl)sulfanyl]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[(6-azanyl-7H-purin-8-yl)sulfanyl]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[(6-amino-7H-purin-8-yl)sulfanyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[(6-amino-7H-purin-8-yl)thio]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[(6-amino-7H-purin-8-yl)sulfanyl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[(6-amino-7H-purin-8-yl)thio]tetrahydropyran-2-yl]methyl ester Formula: C19H23N5O9S MolecularWeight: 497.47902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=NC3=C(N2)C(=NC=N3)N)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SC2=NC3=C(N2)C(=NC=N3)N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H23N5O9S/c1-7(25)29-5-11-13(30-8(2)26)14(31-9(3)27)15(32-10(4)28)18(33-11)34-19-23-12-16(20)21-6-22-17(12)24-19/h6,11,13-15,18H,5H2,1-4H3,(H3,20,21,22,23,24)