7-butyl-8-(4-phenylphenyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-8-(4-phenylphenyl)-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-8-(4-phenylphenyl)-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-(4-phenylphenyl)-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-(4-phenylphenyl)-3-propylpurine-2,6-dione Traditional Name: 7-butyl-8-(4-phenylphenyl)-3-propyl-xanthine Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)NC2=O)CCC

InChI

InChI=1S/C24H26N4O2/c1-3-5-16-27-20-22(28(15-4-2)24(30)26-23(20)29)25-21(27)19-13-11-18(12-14-19)17-9-7-6-8-10-17/h6-14H,3-5,15-16H2,1-2H3,(H,26,29,30)