1-[(4-chlorophenyl)methyl]-3-ethyl-7-(4-fluorophenyl)-8-methoxy-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-7-(4-fluorophenyl)-8-methoxy-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-7-(4-fluorophenyl)-8-methoxy-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-7-(4-fluorophenyl)-8-methoxypurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-7-(4-fluorophenyl)-8-methoxypurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3-ethyl-7-(4-fluorophenyl)-8-methoxy-xanthine Formula: C21H18ClFN4O3 MolecularWeight: 428.844023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18ClFN4O3/c1-3-25-18-17(27(20(24-18)30-2)16-10-8-15(23)9-11-16)19(28)26(21(25)29)12-13-4-6-14(22)7-5-13/h4-11H,3,12H2,1-2H3