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

Systemtic Name: 6-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]sulfanyl-1,5-dimethyl-3-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 3-benzyl-6-[3-(4-fluorophenyl)-3-oxo-propyl]sulfanyl-1,5-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[3-(4-fluorophenyl)-3-oxopropyl]thio]-1,5-dimethyl-3-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 3-benzyl-6-[3-(4-fluorophenyl)-3-oxopropyl]sulfanyl-1,5-dimethylpyrimidine-2,4-dione Traditional Name: 3-benzyl-6-[[3-(4-fluorophenyl)-3-keto-propyl]thio]-1,5-dimethyl-pyrimidine-2,4-quinone Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N(C1=O)CC2=CC=CC=C2)C)SCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(N(C(=O)N(C1=O)CC2=CC=CC=C2)C)SCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O3S/c1-15-20(27)25(14-16-6-4-3-5-7-16)22(28)24(2)21(15)29-13-12-19(26)17-8-10-18(23)11-9-17/h3-11H,12-14H2,1-2H3