methyl 2-tert-butyl-4-methyl-6-[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-tert-butyl-4-methyl-6-[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-tert-butyl-4-methyl-6-[2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 2-tert-butyl-4-methyl-6-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-4-methyl-6-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-tert-butyl-4-[[2-keto-2-[(2-methylcyclohexyl)amino]ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC(=NC(=C2C(=O)OC)C)C(C)(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)CSC2=NC(=NC(=C2C(=O)OC)C)C(C)(C)C

InChI

InChI=1S/C20H31N3O3S/c1-12-9-7-8-10-14(12)22-15(24)11-27-17-16(18(25)26-6)13(2)21-19(23-17)20(3,4)5/h12,14H,7-11H2,1-6H3,(H,22,24)