methyl 1-methyl-3-(2-methylbutyl)-2,6-bis(oxidanylidene)purine-7-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-5-8(2)6-16-10-9(11(18)15(3)12(16)19)17(7-14-10)13(20)21-4/h7-8H,5-6H2,1-4H3