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

Systemtic Name: 2-[4-(4-dimethylaminophenyl)-5-ethanoyl-6-methyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-acetyl-4-(4-dimethylaminophenyl)-6-methylpyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[5-acetyl-4-(4-dimethylaminophenyl)-6-methyl-pyrimidin-2-yl]thio]acetic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-10-15(11(2)21)16(19-17(18-10)24-9-14(22)23)12-5-7-13(8-6-12)20(3)4/h5-8H,9H2,1-4H3,(H,22,23)