8-(4-tert-butylphenoxy)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(4-tert-butylphenoxy)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(4-tert-butylphenoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(4-tert-butylphenoxy)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(4-tert-butylphenoxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(4-tert-butylphenoxy)-1,3,7-trimethyl-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H22N4O3/c1-18(2,3)11-7-9-12(10-8-11)25-16-19-14-13(20(16)4)15(23)22(6)17(24)21(14)5/h7-10H,1-6H3