8-(4-fluorophenyl)-7-(3-methoxypropyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(4-fluorophenyl)-7-(3-methoxypropyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-fluorophenyl)-3-isobutyl-7-(3-methoxypropyl)purine-2,6-dione CAS Name: 8-(4-fluorophenyl)-7-(3-methoxypropyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(4-fluorophenyl)-7-(3-methoxypropyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-fluorophenyl)-3-isobutyl-7-(3-methoxypropyl)xanthine Formula: C19H23FN4O3 MolecularWeight: 374.409323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)F)CCCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)F)CCCOC

InChI

InChI=1S/C19H23FN4O3/c1-12(2)11-24-17-15(18(25)22-19(24)26)23(9-4-10-27-3)16(21-17)13-5-7-14(20)8-6-13/h5-8,12H,4,9-11H2,1-3H3,(H,22,25,26)