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

Systemtic Name: 7-(2-methylpropyl)-3H-purine-2,6-dione; propan-1-ol Openeye Name: 7-isobutyl-3H-purine-2,6-dione; propan-1-ol CAS Name: 7-(2-methylpropyl)-3H-purine-2,6-dione; 1-propanol IUPAC Name: 7-(2-methylpropyl)-3H-purine-2,6-dione; propan-1-ol Traditional Name: 7-isobutylxanthine; propan-1-ol Formula: C12H20N4O3 MolecularWeight: 268.3122

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Descriptors Computed from Structure

Canonical SMILES:

CCCO.CC(C)CN1C=NC2=C1C(=O)NC(=O)N2

Isomeric SMILES

CCCO.CC(C)CN1C=NC2=C1C(=O)NC(=O)N2

InChI

InChI=1S/C9H12N4O2.C3H8O/c1-5(2)3-13-4-10-7-6(13)8(14)12-9(15)11-7;1-2-3-4/h4-5H,3H2,1-2H3,(H2,11,12,14,15);4H,2-3H2,1H3