9-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[2-(4-tert-butylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[2-(4-tert-butylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-(4-tert-butylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-(4-tert-butylphenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H22N4O3/c1-19(2,3)13-8-6-12(7-9-13)14(24)10-23-11-20-15-16(23)21(4)18(26)22(5)17(15)25/h6-9,11H,10H2,1-5H3