4-[3-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-2-12-10-14(19)18-16(17-12)23-9-3-8-22-13-6-4-11(5-7-13)15(20)21/h4-7,10H,2-3,8-9H2,1H3,(H,20,21)(H,17,18,19)