2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl ethanoate

Systemtic Name: 2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl ethanoate Openeye Name: 2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethyl acetate CAS Name: acetic acid 2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)ethyl ester IUPAC Name: 2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethyl acetate Traditional Name: acetic acid 2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)ethyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)OCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H16N4O4/c1-7(17)20-6-5-8-13-10-9(14(8)2)11(18)16(4)12(19)15(10)3/h5-6H2,1-4H3