1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-1-[(3-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-fluorophenyl)methyl]-3,7-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-1-[(3-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-1-(3-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C21H20FN5O2 MolecularWeight: 393.414203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)F)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H20FN5O2/c1-25-17-18(24-20(25)23-12-14-7-4-3-5-8-14)26(2)21(29)27(19(17)28)13-15-9-6-10-16(22)11-15/h3-11H,12-13H2,1-2H3,(H,23,24)