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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)CNC4=CC=CC=C4F

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=CC=C3)CNC4=CC=CC=C4F

InChI

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