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

Systemtic Name: 7-butyl-8-(3-fluorophenyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-butyl-8-(3-fluorophenyl)-3-isobutyl-purine-2,6-dione CAS Name: 7-butyl-8-(3-fluorophenyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-butyl-8-(3-fluorophenyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-butyl-8-(3-fluorophenyl)-3-isobutyl-xanthine Formula: C19H23FN4O2 MolecularWeight: 358.409923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C19H23FN4O2/c1-4-5-9-23-15-17(21-16(23)13-7-6-8-14(20)10-13)24(11-12(2)3)19(26)22-18(15)25/h6-8,10,12H,4-5,9,11H2,1-3H3,(H,22,25,26)