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

Systemtic Name: [3-acetyloxy-5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3-acetoxy-5-(2-amino-6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3-acetyloxy-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3-acetyloxy-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-5-(2-amino-6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C14H17N5O5S MolecularWeight: 367.38028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O5S/c1-6(20)22-4-9-8(23-7(2)21)3-10(24-9)19-5-16-11-12(19)17-14(15)18-13(11)25/h5,8-10H,3-4H2,1-2H3,(H3,15,17,18,25)