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

Systemtic Name: 4-butylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 4-butylsulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(butylthio)-6-methyl-2-phenyl-5-pyrimidinecarboxylate IUPAC Name: 4-butylsulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(butylthio)-6-methyl-2-phenyl-pyrimidine-5-carboxylate Formula: C16H17N2O2S- MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)[O-])C)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)[O-])C)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O2S/c1-3-4-10-21-15-13(16(19)20)11(2)17-14(18-15)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,19,20)/p-1