3-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-oxidanylidene-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-allyl-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-oxo-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(4-oxo-6-phenyl-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-allyl-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-2-6-12-14(11-7-4-3-5-8-11)17-16(18-15(12)21)22-10-9-13(19)20/h2-5,7-8H,1,6,9-10H2,(H,19,20)(H,17,18,21)