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

Systemtic Name: 8-chloranyl-1,3,7-tris(phenylmethyl)purine-2,6-dione Openeye Name: 1,3,7-tribenzyl-8-chloro-purine-2,6-dione CAS Name: 8-chloro-1,3,7-tris(phenylmethyl)purine-2,6-dione IUPAC Name: 1,3,7-tribenzyl-8-chloropurine-2,6-dione Traditional Name: 1,3,7-tribenzyl-8-chloro-xanthine Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H21ClN4O2/c27-25-28-23-22(29(25)16-19-10-4-1-5-11-19)24(32)31(18-21-14-8-3-9-15-21)26(33)30(23)17-20-12-6-2-7-13-20/h1-15H,16-18H2