[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-cyclopropyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-cyclopropyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 2-cyclopropyl-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2-cyclopropyl-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=C(N=C(N=C2SC)C3CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2=C(N=C(N=C2SC)C3CC3)C

InChI

InChI=1S/C22H27N3O3S/c1-5-15-6-8-16(9-7-15)13(2)23-18(26)12-28-22(27)19-14(3)24-20(17-10-11-17)25-21(19)29-4/h6-9,13,17H,5,10-12H2,1-4H3,(H,23,26)