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

Systemtic Name: methyl 1,8-dimethyl-3-(2-methylbutyl)-2,6-bis(oxidanylidene)purine-7-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H20N4O4 MolecularWeight: 308.333

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4/c1-6-8(2)7-17-11-10(12(19)16(4)13(17)20)18(9(3)15-11)14(21)22-5/h8H,6-7H2,1-5H3