2-(2-carboxyethylsulfanyl)-6-phenyl-5-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-(2-carboxyethylsulfanyl)-6-phenyl-5-prop-2-enyl-pyrimidin-4-olate Openeye Name: 5-allyl-2-(2-carboxyethylsulfanyl)-6-phenyl-pyrimidin-4-olate CAS Name: 2-(2-carboxyethylthio)-6-phenyl-5-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-(2-carboxyethylsulfanyl)-6-phenyl-5-prop-2-enylpyrimidin-4-olate Traditional Name: 5-allyl-2-(2-carboxyethylthio)-6-phenyl-pyrimidin-4-olate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N=C(N=C1[O-])SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

C=CCC1=C(N=C(N=C1[O-])SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-2-6-12-14(11-7-4-3-5-8-11)17-16(18-15(12)21)22-10-9-13(19)20/h2-5,7-8H,1,6,9-10H2,(H,19,20)(H,17,18,21)/p-1