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

Systemtic Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methylthio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 4-[(4-tert-butylphenyl)methylsulfanyl]-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[(4-tert-butylbenzyl)thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Formula: C20H23N2O2S- MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=C(C=C3)C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C20H24N2O2S/c1-12-16(19(23)24)18(22-17(21-12)14-7-8-14)25-11-13-5-9-15(10-6-13)20(2,3)4/h5-6,9-10,14H,7-8,11H2,1-4H3,(H,23,24)/p-1