1-(4-chloranylbutyl)-5-(2-fluoranylpyridin-3-yl)-3-(phenylcarbonyl)pyrimidine-2,4-dione

Systemtic Name: 1-(4-chloranylbutyl)-5-(2-fluoranylpyridin-3-yl)-3-(phenylcarbonyl)pyrimidine-2,4-dione Openeye Name: 3-benzoyl-1-(4-chlorobutyl)-5-(2-fluoro-3-pyridyl)pyrimidine-2,4-dione CAS Name: 3-benzoyl-1-(4-chlorobutyl)-5-(2-fluoro-3-pyridinyl)pyrimidine-2,4-dione IUPAC Name: 3-benzoyl-1-(4-chlorobutyl)-5-(2-fluoropyridin-3-yl)pyrimidine-2,4-dione Traditional Name: 3-benzoyl-1-(4-chlorobutyl)-5-(2-fluoro-3-pyridyl)pyrimidine-2,4-quinone Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)CCCCCl)C3=C(N=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)CCCCCl)C3=C(N=CC=C3)F

InChI

InChI=1S/C20H17ClFN3O3/c21-10-4-5-12-24-13-16(15-9-6-11-23-17(15)22)19(27)25(20(24)28)18(26)14-7-2-1-3-8-14/h1-3,6-9,11,13H,4-5,10,12H2