7-[2-(4-tert-butylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-tert-butylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-tert-butylphenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-tert-butylphenoxy)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-tert-butylphenoxy)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-tert-butylphenoxy)ethyl]-1,3-dimethyl-xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H24N4O3/c1-19(2,3)13-6-8-14(9-7-13)26-11-10-23-12-20-16-15(23)17(24)22(5)18(25)21(16)4/h6-9,12H,10-11H2,1-5H3