8-(4-tert-butylphenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 8-(4-tert-butylphenyl)-3-(phenylmethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-benzyl-8-(4-tert-butylphenyl)-7-propyl-purine-2,6-dione CAS Name: 8-(4-tert-butylphenyl)-3-(phenylmethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-benzyl-8-(4-tert-butylphenyl)-7-propylpurine-2,6-dione Traditional Name: 3-benzyl-8-(4-tert-butylphenyl)-7-propyl-xanthine Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=C(C=C3)C(C)(C)C)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=C(C=C3)C(C)(C)C)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-5-15-28-20-22(26-21(28)18-11-13-19(14-12-18)25(2,3)4)29(24(31)27-23(20)30)16-17-9-7-6-8-10-17/h6-14H,5,15-16H2,1-4H3,(H,27,30,31)