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

Systemtic Name: 2-[4-(4-dimethylaminophenyl)-5-ethanoyl-6-methyl-pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-[5-acetyl-4-(4-dimethylaminophenyl)-6-methylpyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-2-yl]thio]propionic acid Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)C)C2=CC=C(C=C2)N(C)C)SC(C)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)C)C2=CC=C(C=C2)N(C)C)SC(C)C(=O)O

InChI

InChI=1S/C18H21N3O3S/c1-10-15(11(2)22)16(13-6-8-14(9-7-13)21(4)5)20-18(19-10)25-12(3)17(23)24/h6-9,12H,1-5H3,(H,23,24)