[4,5-diacetyloxy-6-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(2-amino-6-thioxo-3H-purin-9-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-(2-amino-6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-(2-amino-6-thioxo-3H-purin-9-yl)tetrahydropyran-3-yl] ester Formula: C16H19N5O7S MolecularWeight: 425.41636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2NC(=NC3=S)N

Isomeric SMILES

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2NC(=NC3=S)N

InChI

InChI=1S/C16H19N5O7S/c1-6(22)26-9-4-25-15(12(28-8(3)24)11(9)27-7(2)23)21-5-18-10-13(21)19-16(17)20-14(10)29/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,29)