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

Systemtic Name: 3-[[5-(3-methylbutyl)-4-oxidanylidene-6-phenyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[(5-isopentyl-4-oxo-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[[5-(3-methylbutyl)-4-oxo-6-phenyl-5H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(3-methylbutyl)-4-oxo-6-phenyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[(5-isoamyl-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:

CC(C)CCC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c1-12(2)8-9-14-16(13-6-4-3-5-7-13)19-18(20-17(14)23)24-11-10-15(21)22/h3-7,12,14H,8-11H2,1-2H3,(H,21,22)