ethyl 1,8-dimethyl-3-(2-methylbutyl)-2,6-bis(oxidanylidene)purine-7-carboxylate

Systemtic Name: ethyl 1,8-dimethyl-3-(2-methylbutyl)-2,6-bis(oxidanylidene)purine-7-carboxylate Openeye Name: ethyl 1,8-dimethyl-3-(2-methylbutyl)-2,6-dioxo-purine-7-carboxylate CAS Name: 1,8-dimethyl-3-(2-methylbutyl)-2,6-dioxo-7-purinecarboxylic acid ethyl ester IUPAC Name: ethyl 1,8-dimethyl-3-(2-methylbutyl)-2,6-dioxopurine-7-carboxylate Traditional Name: 2,6-diketo-1,8-dimethyl-3-(2-methylbutyl)purine-7-carboxylic acid ethyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C)C(=O)OCC

Isomeric SMILES

CCC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C)C(=O)OCC

InChI

InChI=1S/C15H22N4O4/c1-6-9(3)8-18-12-11(13(20)17(5)14(18)21)19(10(4)16-12)15(22)23-7-2/h9H,6-8H2,1-5H3