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

Systemtic Name: 3-[(4-oxidanylidene-5-pentyl-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-oxo-5-pentyl-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-oxo-5-pentyl-6-phenyl-5H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(4-oxo-5-pentyl-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-amyl-4-keto-6-phenyl-5H-pyrimidin-2-yl)thio]propionic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c1-2-3-5-10-14-16(13-8-6-4-7-9-13)19-18(20-17(14)23)24-12-11-15(21)22/h4,6-9,14H,2-3,5,10-12H2,1H3,(H,21,22)