methyl 2-tert-butyl-4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-tert-butyl-4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 2-tert-butyl-4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-tert-butyl-4-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidine-5-carboxylate Traditional Name: 2-tert-butyl-4-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)(C)C)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)(C)C)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)OC

InChI

InChI=1S/C23H31N3O5S/c1-14-19(21(28)31-7)20(26-22(25-14)23(2,3)4)32-13-18(27)24-11-10-15-8-9-16(29-5)17(12-15)30-6/h8-9,12H,10-11,13H2,1-7H3,(H,24,27)