1,3-dimethyl-7-[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(2,3,5,6-tetramethylphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C)C

InChI

InChI=1S/C19H22N4O3/c1-10-7-11(2)13(4)15(12(10)3)14(24)8-23-9-20-17-16(23)18(25)22(6)19(26)21(17)5/h7,9H,8H2,1-6H3