3,7-bis(phenylmethyl)-8-pyridin-2-yl-purine-2,6-dione

Systemtic Name: 3,7-bis(phenylmethyl)-8-pyridin-2-yl-purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-(2-pyridyl)purine-2,6-dione CAS Name: 3,7-bis(phenylmethyl)-8-(2-pyridinyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-pyridin-2-ylpurine-2,6-dione Traditional Name: 3,7-dibenzyl-8-(2-pyridyl)xanthine Formula: C24H19N5O2 MolecularWeight: 409.43996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2C4=CC=CC=N4)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2C4=CC=CC=N4)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H19N5O2/c30-23-20-22(29(24(31)27-23)16-18-11-5-2-6-12-18)26-21(19-13-7-8-14-25-19)28(20)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,27,30,31)