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

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]pentanoic acid Openeye Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]pentanoic acid CAS Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]thio]pentanoic acid IUPAC Name: 2-[[6-methyl-4-oxo-5-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]pentanoic acid Traditional Name: 2-[[4-keto-6-methyl-5-(phenoxymethyl)-1H-pyrimidin-2-yl]thio]valeric acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C)COC2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C)COC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O4S/c1-3-7-14(16(21)22)24-17-18-11(2)13(15(20)19-17)10-23-12-8-5-4-6-9-12/h4-6,8-9,14H,3,7,10H2,1-2H3,(H,21,22)(H,18,19,20)