8-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione; propan-1-ol

Systemtic Name: 8-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione; propan-1-ol Openeye Name: 7-isobutyl-8-methyl-3H-purine-2,6-dione; propan-1-ol CAS Name: 8-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione; 1-propanol IUPAC Name: 8-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione; propan-1-ol Traditional Name: 7-isobutyl-8-methyl-xanthine; propan-1-ol Formula: C13H22N4O3 MolecularWeight: 282.33878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O2.C3H8O/c1-5(2)4-14-6(3)11-8-7(14)9(15)13-10(16)12-8;1-2-3-4/h5H,4H2,1-3H3,(H2,12,13,15,16);4H,2-3H2,1H3