3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(2-methylallyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(2-methylallyl)xanthine Formula: C11H14N4O2 MolecularWeight: 234.25446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C11H14N4O2/c1-7(2)5-15-10(16)8-9(12-6-13(8)3)14(4)11(15)17/h6H,1,5H2,2-4H3