2-[4-(4-dimethylaminophenyl)-5-ethanoyl-6-methyl-pyrimidin-2-yl]sulfanylbutanoic acid

Systemtic Name: 2-[4-(4-dimethylaminophenyl)-5-ethanoyl-6-methyl-pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 2-[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-2-yl]sulfanylbutanoic acid CAS Name: 2-[[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-2-pyrimidinyl]thio]butanoic acid IUPAC Name: 2-[5-acetyl-4-(4-dimethylaminophenyl)-6-methylpyrimidin-2-yl]sulfanylbutanoic acid Traditional Name: 2-[[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-2-yl]thio]butyric acid Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=C(C(=N1)C)C(=O)C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=C(C(=N1)C)C(=O)C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H23N3O3S/c1-6-15(18(24)25)26-19-20-11(2)16(12(3)23)17(21-19)13-7-9-14(10-8-13)22(4)5/h7-10,15H,6H2,1-5H3,(H,24,25)