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

Systemtic Name: 3-[[5-(2-methylpropyl)-4-oxidanylidene-6-phenyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[(5-isobutyl-4-oxo-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[[5-(2-methylpropyl)-4-oxo-6-phenyl-5H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(2-methylpropyl)-4-oxo-6-phenyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[(5-isobutyl-4-keto-6-phenyl-5H-pyrimidin-2-yl)thio]propionic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC1C(=NC(=NC1=O)SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-11(2)10-13-15(12-6-4-3-5-7-12)18-17(19-16(13)22)23-9-8-14(20)21/h3-7,11,13H,8-10H2,1-2H3,(H,20,21)