1-methyl-4-(2-methylpropyl)-3H-purine-2,6-dione

Systemtic Name: 1-methyl-4-(2-methylpropyl)-3H-purine-2,6-dione Openeye Name: 4-isobutyl-1-methyl-3H-purine-2,6-dione CAS Name: 1-methyl-4-(2-methylpropyl)-3H-purine-2,6-dione IUPAC Name: 1-methyl-4-(2-methylpropyl)-3H-purine-2,6-dione Traditional Name: 4-isobutyl-1-methyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC12C(=NC=N1)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC(C)CC12C(=NC=N1)C(=O)N(C(=O)N2)C

InChI

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