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

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methylthio]-2-cyclohexyl-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-cyclohexyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[(4-tert-butylbenzyl)thio]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylate Formula: C23H29N2O2S- MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C23H30N2O2S/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/h10-13,17H,5-9,14H2,1-4H3,(H,26,27)/p-1