[3,4-diacetyloxy-5-[2,6-bis(sulfanylidene)-3H-purin-7-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-[2,6-bis(sulfanylidene)-3H-purin-7-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(2,6-dithioxo-3H-purin-7-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2,6-bis(sulfanylidene)-3H-purin-7-yl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-[2,6-bis(sulfanylidene)-3H-purin-7-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-(2,6-dithioxo-3H-purin-7-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H18N4O7S2 MolecularWeight: 442.46672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2C(=S)NC(=S)N3)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2C(=S)NC(=S)N3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H18N4O7S2/c1-6(21)24-4-9-11(25-7(2)22)12(26-8(3)23)15(27-9)20-5-17-13-10(20)14(28)19-16(29)18-13/h5,9,11-12,15H,4H2,1-3H3,(H2,18,19,28,29)