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

Systemtic Name: 8-[2-(4-tert-butylphenoxy)ethylamino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(4-tert-butylphenoxy)ethylamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[2-(4-tert-butylphenoxy)ethylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(4-tert-butylphenoxy)ethylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[2-(4-tert-butylphenoxy)ethylamino]-1,3,7-trimethyl-xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H27N5O3/c1-20(2,3)13-7-9-14(10-8-13)28-12-11-21-18-22-16-15(23(18)4)17(26)25(6)19(27)24(16)5/h7-10H,11-12H2,1-6H3,(H,21,22)