8-[(E)-but-2-enoxy]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-but-2-enoxy]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(E)-but-2-enoxy]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(E)-but-2-enoxy]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(E)-but-2-enoxy]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(E)-but-2-enoxy]-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C18H19FN4O3 MolecularWeight: 358.366863

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC1=NC2=C(N1CC3=CC=CC=C3F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

C/C=C/COC1=NC2=C(N1CC3=CC=CC=C3F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H19FN4O3/c1-4-5-10-26-17-20-15-14(16(24)22(3)18(25)21(15)2)23(17)11-12-8-6-7-9-13(12)19/h4-9H,10-11H2,1-3H3/b5-4+