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

Systemtic Name: 3-phenyl-1,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,7-dibenzyl-3-phenyl-purine-2,6-dione CAS Name: 3-phenyl-1,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,7-dibenzyl-3-phenylpurine-2,6-dione Traditional Name: 1,7-dibenzyl-3-phenyl-xanthine Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2/c30-24-22-23(26-18-27(22)16-19-10-4-1-5-11-19)29(21-14-8-3-9-15-21)25(31)28(24)17-20-12-6-2-7-13-20/h1-15,18H,16-17H2