2-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-allyl-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(4-oxo-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(4-oxo-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-allyl-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(NC(=NC1=O)SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

C=CCC1=C(NC(=NC1=O)SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H14N2O3S/c1-2-6-11-13(10-7-4-3-5-8-10)16-15(17-14(11)20)21-9-12(18)19/h2-5,7-8H,1,6,9H2,(H,18,19)(H,16,17,20)