2-[[5-[(2-chloranylphenoxy)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]pentanoic acid

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]pentanoic acid Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentanoic acid CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]pentanoic acid IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]pentanoic acid Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]valeric acid Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C)COC2=CC=CC=C2Cl

Isomeric SMILES

CCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C)COC2=CC=CC=C2Cl

InChI

InChI=1S/C17H19ClN2O4S/c1-3-6-14(16(22)23)25-17-19-10(2)11(15(21)20-17)9-24-13-8-5-4-7-12(13)18/h4-5,7-8,14H,3,6,9H2,1-2H3,(H,22,23)(H,19,20,21)