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

Systemtic Name: 1,3,7-tris(phenylmethyl)purine-2,6-dione Openeye Name: 1,3,7-tribenzylpurine-2,6-dione CAS Name: 1,3,7-tris(phenylmethyl)purine-2,6-dione IUPAC Name: 1,3,7-tribenzylpurine-2,6-dione Traditional Name: 1,3,7-tribenzylxanthine Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2/c31-25-23-24(27-19-28(23)16-20-10-4-1-5-11-20)29(17-21-12-6-2-7-13-21)26(32)30(25)18-22-14-8-3-9-15-22/h1-15,19H,16-18H2