1-cyclopropyl-3-(4-fluorophenyl)-7-[(3-methoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 1-cyclopropyl-3-(4-fluorophenyl)-7-[(3-methoxyphenyl)methyl]purine-2,6-dione Openeye Name: 1-cyclopropyl-3-(4-fluorophenyl)-7-[(3-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 1-cyclopropyl-3-(4-fluorophenyl)-7-[(3-methoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 1-cyclopropyl-3-(4-fluorophenyl)-7-[(3-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 1-cyclopropyl-3-(4-fluorophenyl)-7-m-anisyl-xanthine Formula: C22H19FN4O3 MolecularWeight: 406.409663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)C5CC5

InChI

InChI=1S/C22H19FN4O3/c1-30-18-4-2-3-14(11-18)12-25-13-24-20-19(25)21(28)27(17-9-10-17)22(29)26(20)16-7-5-15(23)6-8-16/h2-8,11,13,17H,9-10,12H2,1H3