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

Systemtic Name: 7-butyl-8-(4-tert-butylphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-(4-tert-butylphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-(4-tert-butylphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-(4-tert-butylphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-(4-tert-butylphenoxy)-1,3-dimethyl-xanthine Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1OC3=CC=C(C=C3)C(C)(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1OC3=CC=C(C=C3)C(C)(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H28N4O3/c1-7-8-13-25-16-17(23(5)20(27)24(6)18(16)26)22-19(25)28-15-11-9-14(10-12-15)21(2,3)4/h9-12H,7-8,13H2,1-6H3