8-butyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-butyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-butyl-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-butyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-butyl-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-butyl-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C14H22N4O2/c1-5-6-7-10-15-11-12(16-10)18(8-9(2)3)14(20)17(4)13(11)19/h9H,5-8H2,1-4H3,(H,15,16)