8-[2,3-bis(chloranyl)phenyl]-3-butyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2,3-bis(chloranyl)phenyl]-3-butyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-butyl-8-(2,3-dichlorophenyl)purine-2,6-dione CAS Name: 3-butyl-8-(2,3-dichlorophenyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-butyl-8-(2,3-dichlorophenyl)purine-2,6-dione Traditional Name: 7-benzyl-3-butyl-8-(2,3-dichlorophenyl)xanthine Formula: C22H20Cl2N4O2 MolecularWeight: 443.3258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C(=CC=C3)Cl)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C(=CC=C3)Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H20Cl2N4O2/c1-2-3-12-27-20-18(21(29)26-22(27)30)28(13-14-8-5-4-6-9-14)19(25-20)15-10-7-11-16(23)17(15)24/h4-11H,2-3,12-13H2,1H3,(H,26,29,30)