[3-acetyloxy-2-[(2-azanyl-6-sulfanylidene-3H-purin-9-yl)methoxy]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[(2-azanyl-6-sulfanylidene-3H-purin-9-yl)methoxy]propyl] ethanoate Openeye Name: [3-acetoxy-2-[(2-amino-6-thioxo-3H-purin-9-yl)methoxy]propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[(2-amino-6-sulfanylidene-3H-purin-9-yl)methoxy]propyl] ester IUPAC Name: [3-acetyloxy-2-[(2-amino-6-sulfanylidene-3H-purin-9-yl)methoxy]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[(2-amino-6-thioxo-3H-purin-9-yl)methoxy]propyl] ester Formula: C13H17N5O5S MolecularWeight: 355.36958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COC(=O)C)OCN1C=NC2=C1NC(=NC2=S)N

Isomeric SMILES

CC(=O)OCC(COC(=O)C)OCN1C=NC2=C1NC(=NC2=S)N

InChI

InChI=1S/C13H17N5O5S/c1-7(19)21-3-9(4-22-8(2)20)23-6-18-5-15-10-11(18)16-13(14)17-12(10)24/h5,9H,3-4,6H2,1-2H3,(H3,14,16,17,24)