methyl 1,8-dimethyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purine-7-carboxylate

Systemtic Name: methyl 1,8-dimethyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purine-7-carboxylate Openeye Name: methyl 3-isobutyl-1,8-dimethyl-2,6-dioxo-purine-7-carboxylate CAS Name: 1,8-dimethyl-3-(2-methylpropyl)-2,6-dioxo-7-purinecarboxylic acid methyl ester IUPAC Name: methyl 1,8-dimethyl-3-(2-methylpropyl)-2,6-dioxopurine-7-carboxylate Traditional Name: 3-isobutyl-2,6-diketo-1,8-dimethyl-purine-7-carboxylic acid methyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(=O)OC)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=NC2=C(N1C(=O)OC)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C13H18N4O4/c1-7(2)6-16-10-9(11(18)15(4)12(16)19)17(8(3)14-10)13(20)21-5/h7H,6H2,1-5H3