[4-acetyloxy-3-[ethanethioyl(methyl)amino]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [4-acetyloxy-3-[ethanethioyl(methyl)amino]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [4-acetoxy-3-[ethanethioyl(methyl)amino]-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [4-acetyloxy-3-[methyl(1-sulfanylideneethyl)amino]-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [4-acetyloxy-3-[ethanethioyl(methyl)amino]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [4-acetoxy-3-[methyl(thioacetyl)amino]-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C17H21N5O5S2 MolecularWeight: 439.50914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N(C)C1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)COC(=O)C

Isomeric SMILES

CC(=S)N(C)C1C(OC(C1OC(=O)C)N2C=NC3=C2NC=NC3=S)COC(=O)C

InChI

InChI=1S/C17H21N5O5S2/c1-8(28)21(4)13-11(5-25-9(2)23)27-17(14(13)26-10(3)24)22-7-20-12-15(22)18-6-19-16(12)29/h6-7,11,13-14,17H,5H2,1-4H3,(H,18,19,29)