7-[(4-fluorophenyl)methyl]-3-methyl-8-[(4-methylphenyl)amino]purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(4-methylphenyl)amino]purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylanilino)purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylanilino)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(4-methylanilino)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-3-methyl-8-(p-toluidino)xanthine Formula: C20H18FN5O2 MolecularWeight: 379.387623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H18FN5O2/c1-12-3-9-15(10-4-12)22-19-23-17-16(18(27)24-20(28)25(17)2)26(19)11-13-5-7-14(21)8-6-13/h3-10H,11H2,1-2H3,(H,22,23)(H,24,27,28)