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

Systemtic Name: 3-[(4-oxidanylidene-6-phenyl-5-propyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-oxo-6-phenyl-5-propyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-oxo-6-phenyl-5-propyl-5H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(4-oxo-6-phenyl-5-propyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-6-phenyl-5-propyl-5H-pyrimidin-2-yl)thio]propionic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-2-6-12-14(11-7-4-3-5-8-11)17-16(18-15(12)21)22-10-9-13(19)20/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)