2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl ethanoate

Systemtic Name: 2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl ethanoate Openeye Name: 2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl acetate CAS Name: acetic acid 2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]ethyl ester IUPAC Name: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl acetate Traditional Name: acetic acid 2-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]ethyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H16N4O4S/c1-7(17)20-5-6-21-11-13-8-9(14(11)2)15(3)12(19)16(4)10(8)18/h5-6H2,1-4H3