2-(2-carboxyethylsulfanyl)-5-(naphthalen-1-ylmethyl)-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-(2-carboxyethylsulfanyl)-5-(naphthalen-1-ylmethyl)-6-phenyl-pyrimidin-4-olate Openeye Name: 2-(2-carboxyethylsulfanyl)-5-(1-naphthylmethyl)-6-phenyl-pyrimidin-4-olate CAS Name: 2-(2-carboxyethylthio)-5-(1-naphthalenylmethyl)-6-phenyl-4-pyrimidinolate IUPAC Name: 2-(2-carboxyethylsulfanyl)-5-(naphthalen-1-ylmethyl)-6-phenylpyrimidin-4-olate Traditional Name: 2-(2-carboxyethylthio)-5-(1-naphthylmethyl)-6-phenyl-pyrimidin-4-olate Formula: C24H19N2O3S- MolecularWeight: 415.48426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCCC(=O)O)[O-])CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCCC(=O)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)/p-1