1,3-dimethyl-7-(3-methylbutyl)-9H-purine-2,6,8-trione

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-9H-purine-2,6,8-trione Openeye Name: 7-isopentyl-1,3-dimethyl-9H-purine-2,6,8-trione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-9H-purine-2,6,8-trione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-9H-purine-2,6,8-trione Traditional Name: 7-isoamyl-1,3-dimethyl-9H-purine-2,6,8-trione Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H18N4O3/c1-7(2)5-6-16-8-9(13-11(16)18)14(3)12(19)15(4)10(8)17/h7H,5-6H2,1-4H3,(H,13,18)