4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methylthio]-6-methyl-2-phenyl-5-pyrimidinecarboxylate IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(4-tert-butylbenzyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylate Formula: C23H23N2O2S- MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C23H24N2O2S/c1-15-19(22(26)27)21(25-20(24-15)17-8-6-5-7-9-17)28-14-16-10-12-18(13-11-16)23(2,3)4/h5-13H,14H2,1-4H3,(H,26,27)/p-1