1,3-dimethyl-7-[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C)C)C

InChI

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