7-[2-[(2-fluoranyl-4-methyl-phenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(2-fluoranyl-4-methyl-phenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(2-fluoro-4-methyl-anilino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(2-fluoro-4-methylanilino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(2-fluoro-4-methylanilino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(2-fluoro-4-methyl-anilino)ethyl]-1,3-dimethyl-xanthine Formula: C16H18FN5O2 MolecularWeight: 331.344823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)F

InChI

InChI=1S/C16H18FN5O2/c1-10-4-5-12(11(17)8-10)18-6-7-22-9-19-14-13(22)15(23)21(3)16(24)20(14)2/h4-5,8-9,18H,6-7H2,1-3H3