1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione

Systemtic Name: 1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione Openeye Name: 1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione CAS Name: 1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione IUPAC Name: 1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione Traditional Name: 1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-quinone Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O2/c1-5-7(2)6-16-10-9(13-8(3)14-10)11(17)15(4)12(16)18/h7H,5-6H2,1-4H3,(H,13,14)