7-(2-methylpropyl)-3H-purine-2,6-dione

Systemtic Name: 7-(2-methylpropyl)-3H-purine-2,6-dione Openeye Name: 7-isobutyl-3H-purine-2,6-dione CAS Name: 7-(2-methylpropyl)-3H-purine-2,6-dione IUPAC Name: 7-(2-methylpropyl)-3H-purine-2,6-dione Traditional Name: 7-isobutylxanthine Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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