4-[3-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]propoxy]benzoic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCCCOC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCCCOC2=CC=C(C=C2)C(=O)O)C

InChI

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