7-[(3,4-diethoxyphenyl)methyl]-8-(4-fluoranylphenoxy)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3,4-diethoxyphenyl)methyl]-8-(4-fluoranylphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3,4-diethoxyphenyl)methyl]-8-(4-fluorophenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-diethoxyphenyl)methyl]-8-(4-fluorophenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3,4-diethoxyphenyl)methyl]-8-(4-fluorophenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3,4-diethoxybenzyl)-8-(4-fluorophenoxy)-1,3-dimethyl-xanthine Formula: C24H25FN4O5 MolecularWeight: 468.477503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C3=C(N=C2OC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C3=C(N=C2OC4=CC=C(C=C4)F)N(C(=O)N(C3=O)C)C)OCC

InChI

InChI=1S/C24H25FN4O5/c1-5-32-18-12-7-15(13-19(18)33-6-2)14-29-20-21(27(3)24(31)28(4)22(20)30)26-23(29)34-17-10-8-16(25)9-11-17/h7-13H,5-6,14H2,1-4H3