7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxy-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxy-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxy-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxypurine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-prop-2-ynoxypurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-8-propargyloxy-xanthine Formula: C17H14ClFN4O3 MolecularWeight: 376.769463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC#C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H14ClFN4O3/c1-4-8-26-16-20-14-13(15(24)22(3)17(25)21(14)2)23(16)9-10-11(18)6-5-7-12(10)19/h1,5-7H,8-9H2,2-3H3