butanoic acid; 8-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione

Systemtic Name: butanoic acid; 8-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione Openeye Name: butyric acid; 7-isobutyl-8-methyl-3H-purine-2,6-dione CAS Name: butanoic acid; 8-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione IUPAC Name: butanoic acid; 8-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione Traditional Name: butyric acid; 7-isobutyl-8-methyl-xanthine Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.CC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2

Isomeric SMILES

CCCC(=O)O.CC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2

InChI

InChI=1S/C10H14N4O2.C4H8O2/c1-5(2)4-14-6(3)11-8-7(14)9(15)13-10(16)12-8;1-2-3-4(5)6/h5H,4H2,1-3H3,(H2,12,13,15,16);2-3H2,1H3,(H,5,6)