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

Systemtic Name: 7-(2-methylpropyl)-3-propyl-purine-2,6-dione Openeye Name: 7-isobutyl-3-propyl-purine-2,6-dione CAS Name: 7-(2-methylpropyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methylpropyl)-3-propylpurine-2,6-dione Traditional Name: 7-isobutyl-3-propyl-xanthine Formula: C12H18N4O2 MolecularWeight: 250.29692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC(C)C

InChI

InChI=1S/C12H18N4O2/c1-4-5-16-10-9(11(17)14-12(16)18)15(7-13-10)6-8(2)3/h7-8H,4-6H2,1-3H3,(H,14,17,18)