3,8-dimethyl-1,7-dipropyl-purine-2,6-dione

Systemtic Name: 3,8-dimethyl-1,7-dipropyl-purine-2,6-dione Openeye Name: 3,8-dimethyl-1,7-dipropyl-purine-2,6-dione CAS Name: 3,8-dimethyl-1,7-dipropylpurine-2,6-dione IUPAC Name: 3,8-dimethyl-1,7-dipropylpurine-2,6-dione Traditional Name: 3,8-dimethyl-1,7-dipropyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)CCC)C

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)CCC)C

InChI

InChI=1S/C13H20N4O2/c1-5-7-16-9(3)14-11-10(16)12(18)17(8-6-2)13(19)15(11)4/h5-8H2,1-4H3