3-butyl-8-(4-tert-butylphenyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(4-tert-butylphenyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-(4-tert-butylphenyl)-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-(4-tert-butylphenyl)-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-(4-tert-butylphenyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-(4-tert-butylphenyl)xanthine Formula: C24H34N4O2 MolecularWeight: 410.55236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1C3=CC=C(C=C3)C(C)(C)C)N(C(=O)NC2=O)CCCC

Isomeric SMILES

CCCCCN1C2=C(N=C1C3=CC=C(C=C3)C(C)(C)C)N(C(=O)NC2=O)CCCC

InChI

InChI=1S/C24H34N4O2/c1-6-8-10-16-27-19-21(28(15-9-7-2)23(30)26-22(19)29)25-20(27)17-11-13-18(14-12-17)24(3,4)5/h11-14H,6-10,15-16H2,1-5H3,(H,26,29,30)