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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(2,4,5-trimethylphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-10-6-12(3)13(7-11(10)2)14(23)8-22-9-19-16-15(22)17(24)21(5)18(25)20(16)4/h6-7,9H,8H2,1-5H3