4-methyl-2-phenyl-6-propylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-methyl-2-phenyl-6-propylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-methyl-2-phenyl-6-propylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-2-phenyl-6-(propylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-methyl-2-phenyl-6-propylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-methyl-2-phenyl-6-(propylthio)pyrimidine-5-carboxylate Formula: C15H15N2O2S- MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC(=C1C(=O)[O-])C)C2=CC=CC=C2

Isomeric SMILES

CCCSC1=NC(=NC(=C1C(=O)[O-])C)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O2S/c1-3-9-20-14-12(15(18)19)10(2)16-13(17-14)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,18,19)/p-1