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

Systemtic Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-propyl-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1OC3=CC=C(C=C3)C(C)(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1OC3=CC=C(C=C3)C(C)(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H26N4O3/c1-7-12-24-15-16(22(5)19(26)23(6)17(15)25)21-18(24)27-14-10-8-13(9-11-14)20(2,3)4/h8-11H,7,12H2,1-6H3