8-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[5-(2,3-dichlorophenyl)-2-furyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[5-(2,3-dichlorophenyl)-2-furanyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[5-(2,3-dichlorophenyl)furan-2-yl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[5-(2,3-dichlorophenyl)-2-furyl]-7-ethyl-xanthine Formula: C21H20Cl2N4O3 MolecularWeight: 447.3145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)CC

InChI

InChI=1S/C21H20Cl2N4O3/c1-3-5-11-27-19-17(20(28)25-21(27)29)26(4-2)18(24-19)15-10-9-14(30-15)12-7-6-8-13(22)16(12)23/h6-10H,3-5,11H2,1-2H3,(H,25,28,29)