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

Systemtic Name: 3-[[5-(2-methylprop-2-enyl)-4-oxidanylidene-6-phenyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(2-methylallyl)-4-oxo-6-phenyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(2-methylprop-2-enyl)-4-oxo-6-phenyl-5H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(2-methylprop-2-enyl)-4-oxo-6-phenyl-5H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-5-(2-methylallyl)-6-phenyl-5H-pyrimidin-2-yl]thio]propionic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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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/C17H18N2O3S/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/h3-7,13H,1,8-10H2,2H3,(H,20,21)