2-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-propyl-pyrimidine-4,6-dione

Systemtic Name: 2-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-1-propyl-pyrimidine-4,6-dione Openeye Name: 2-[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-1-propyl-pyrimidine-4,6-dione CAS Name: 2-[[2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-1-propylpyrimidine-4,6-dione IUPAC Name: 2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-1-propylpyrimidine-4,6-dione Traditional Name: 2-[[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-1-propyl-pyrimidine-4,6-quinone Formula: C21H22FN3O3S MolecularWeight: 415.481083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CC(=O)N=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCN1C(=O)CC(=O)N=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H22FN3O3S/c1-4-9-24-20(28)11-19(27)23-21(24)29-12-18(26)17-10-13(2)25(14(17)3)16-7-5-15(22)6-8-16/h5-8,10H,4,9,11-12H2,1-3H3