8-(2,4-dichlorophenyl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2,4-dichlorophenyl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-(2,4-dichlorophenyl)purine-2,6-dione CAS Name: 8-(2,4-dichlorophenyl)-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-(2,4-dichlorophenyl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-8-(2,4-dichlorophenyl)xanthine Formula: C25H18Cl2N4O2 MolecularWeight: 477.34202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2C4=C(C=C(C=C4)Cl)Cl)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2C4=C(C=C(C=C4)Cl)Cl)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H18Cl2N4O2/c26-18-11-12-19(20(27)13-18)22-28-23-21(30(22)14-16-7-3-1-4-8-16)24(32)29-25(33)31(23)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,29,32,33)