1-butyl-3-phenyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-butyl-3-phenyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-butyl-3-phenyl-purine-2,6-dione CAS Name: 1-butyl-3-phenyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-butyl-3-phenylpurine-2,6-dione Traditional Name: 7-benzyl-1-butyl-3-phenyl-xanthine Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2/c1-2-3-14-25-21(27)19-20(26(22(25)28)18-12-8-5-9-13-18)23-16-24(19)15-17-10-6-4-7-11-17/h4-13,16H,2-3,14-15H2,1H3