1,3,7-trimethyl-8-[4-(2-methylbutan-2-yl)phenoxy]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[4-(2-methylbutan-2-yl)phenoxy]purine-2,6-dione Openeye Name: 8-[4-(1,1-dimethylpropyl)phenoxy]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[4-(2-methylbutan-2-yl)phenoxy]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[4-(2-methylbutan-2-yl)phenoxy]purine-2,6-dione Traditional Name: 8-(4-tert-amylphenoxy)-1,3,7-trimethyl-xanthine Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3/c1-7-19(2,3)12-8-10-13(11-9-12)26-17-20-15-14(21(17)4)16(24)23(6)18(25)22(15)5/h8-11H,7H2,1-6H3