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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)F)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)F)CCOC

InChI

InChI=1S/C18H21FN4O3/c1-3-4-9-23-16-14(17(24)21-18(23)25)22(10-11-26-2)15(20-16)12-5-7-13(19)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,21,24,25)