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

Systemtic Name: 1-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione Openeye Name: 7-isobutyl-1-methyl-3H-purine-2,6-dione CAS Name: 1-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione IUPAC Name: 1-methyl-7-(2-methylpropyl)-3H-purine-2,6-dione Traditional Name: 7-isobutyl-1-methyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O2/c1-6(2)4-14-5-11-8-7(14)9(15)13(3)10(16)12-8/h5-6H,4H2,1-3H3,(H,12,16)