1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl propanoate

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl propanoate Openeye Name: 1-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl propanoate CAS Name: propanoic acid 1-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 1-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl propanoate Traditional Name: propionic acid 1-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H16N4O4/c1-5-8(17)20-7(2)16-6-13-10-9(16)11(18)15(4)12(19)14(10)3/h6-7H,5H2,1-4H3