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

Systemtic Name: 8-ethoxy-1-[(3-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-ethoxy-1-[(3-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-ethoxy-1-[(3-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-ethoxy-1-[(3-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-ethoxy-1-(3-fluorobenzyl)-3,7-dimethyl-xanthine Formula: C16H17FN4O3 MolecularWeight: 332.329583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C16H17FN4O3/c1-4-24-15-18-13-12(19(15)2)14(22)21(16(23)20(13)3)9-10-6-5-7-11(17)8-10/h5-8H,4,9H2,1-3H3