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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CC4)N(C=N3)CC5=CC=CC=C5F

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CC4)N(C=N3)CC5=CC=CC=C5F

InChI

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