3-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-(naphthalen-1-ylmethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(1-naphthylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(1-naphthalenylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(naphthalen-1-ylmethyl)-4-oxo-6-phenyl-1H-pyrimidin-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-keto-5-(1-naphthylmethyl)-6-phenyl-1H-pyrimidin-2-yl]thio]propionic acid Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCC(=O)O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCC(=O)O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H20N2O3S/c27-21(28)13-14-30-24-25-22(17-8-2-1-3-9-17)20(23(29)26-24)15-18-11-6-10-16-7-4-5-12-19(16)18/h1-12H,13-15H2,(H,27,28)(H,25,26,29)