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

Systemtic Name: 8-(4-fluorophenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-fluorophenyl)-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(4-fluorophenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(4-fluorophenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-fluorophenyl)-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C18H21FN4O3 MolecularWeight: 360.382743

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN4O3/c1-11(2)10-23-16-14(17(24)21-18(23)25)22(8-9-26-3)15(20-16)12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,21,24,25)