7-(2,2-dimethylpropyl)-3-methyl-1-propyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-3-methyl-1-propyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-3-methyl-1-propyl-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-3-methyl-1-propylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-3-methyl-1-propylpurine-2,6-dione Traditional Name: 3-methyl-7-neopentyl-1-propyl-xanthine Formula: C14H22N4O2 MolecularWeight: 278.35008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CC(C)(C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CC(C)(C)C)N(C1=O)C

InChI

InChI=1S/C14H22N4O2/c1-6-7-18-12(19)10-11(16(5)13(18)20)15-9-17(10)8-14(2,3)4/h9H,6-8H2,1-5H3