2-(2-carboxyethylsulfanyl)-6-phenyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-(2-carboxyethylsulfanyl)-6-phenyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-(2-carboxyethylsulfanyl)-6-phenyl-pyrimidin-4-olate CAS Name: 2-(2-carboxyethylthio)-6-phenyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-(2-carboxyethylsulfanyl)-6-phenylpyrimidin-4-olate Traditional Name: 5-benzyl-2-(2-carboxyethylthio)-6-phenyl-pyrimidin-4-olate Formula: C20H17N2O3S- MolecularWeight: 365.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c23-17(24)11-12-26-20-21-18(15-9-5-2-6-10-15)16(19(25)22-20)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,23,24)(H,21,22,25)/p-1