N-(3,4-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-1-methyl-6-oxo-pyrimidine-5-carboxamide CAS Name: N-(3,4-dimethylphenyl)-2-[(3-fluorophenyl)methylthio]-1-methyl-6-oxo-5-pyrimidinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-1-methyl-6-oxopyrimidine-5-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(3-fluorobenzyl)thio]-6-keto-1-methyl-pyrimidine-5-carboxamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H20FN3O2S/c1-13-7-8-17(9-14(13)2)24-19(26)18-11-23-21(25(3)20(18)27)28-12-15-5-4-6-16(22)10-15/h4-11H,12H2,1-3H3,(H,24,26)