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

Systemtic Name: 3-butyl-7-ethyl-8-(3-fluorophenyl)purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(3-fluorophenyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-(3-fluorophenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-(3-fluorophenyl)purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-(3-fluorophenyl)xanthine Formula: C17H19FN4O2 MolecularWeight: 330.356763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN4O2/c1-3-5-9-22-15-13(16(23)20-17(22)24)21(4-2)14(19-15)11-7-6-8-12(18)10-11/h6-8,10H,3-5,9H2,1-2H3,(H,20,23,24)