1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione CAS Name: 1-[2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[2-keto-2-(2-ketoimidazolidin-1-yl)ethyl]xanthine Formula: C24H22N6O4 MolecularWeight: 458.46928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)N1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H22N6O4/c31-19(28-12-11-25-23(28)33)15-30-22(32)20-21(26-16-27(20)13-17-7-3-1-4-8-17)29(24(30)34)14-18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,25,33)