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

Systemtic Name: 8-[2,3-bis(chloranyl)phenyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-(2,3-dichlorophenyl)-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-(2,3-dichlorophenyl)-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-(2,3-dichlorophenyl)-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-(2,3-dichlorophenyl)-7-ethyl-xanthine Formula: C17H18Cl2N4O2 MolecularWeight: 381.25642

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N4O2/c1-3-5-9-23-15-13(16(24)21-17(23)25)22(4-2)14(20-15)10-7-6-8-11(18)12(10)19/h6-8H,3-5,9H2,1-2H3,(H,21,24,25)