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

Systemtic Name: 3-[(5-heptyl-4-oxidanylidene-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-heptyl-4-oxo-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-heptyl-4-oxo-6-phenyl-5H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-heptyl-4-oxo-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-heptyl-4-keto-6-phenyl-5H-pyrimidin-2-yl)thio]propionic acid Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3S/c1-2-3-4-5-9-12-16-18(15-10-7-6-8-11-15)21-20(22-19(16)25)26-14-13-17(23)24/h6-8,10-11,16H,2-5,9,12-14H2,1H3,(H,23,24)