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

Systemtic Name: 8-methyl-3-(3-methylbutyl)-7H-purine-2,6-dione Openeye Name: 3-isopentyl-8-methyl-7H-purine-2,6-dione CAS Name: 8-methyl-3-(3-methylbutyl)-7H-purine-2,6-dione IUPAC Name: 8-methyl-3-(3-methylbutyl)-7H-purine-2,6-dione Traditional Name: 3-isoamyl-8-methyl-7H-purine-2,6-quinone Formula: C11H16N4O2 MolecularWeight: 236.27034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)NC(=O)N2CCC(C)C

Isomeric SMILES

CC1=NC2=C(N1)C(=O)NC(=O)N2CCC(C)C

InChI

InChI=1S/C11H16N4O2/c1-6(2)4-5-15-9-8(12-7(3)13-9)10(16)14-11(15)17/h6H,4-5H2,1-3H3,(H,12,13)(H,14,16,17)