ethyl 4-methyl-6-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-tert-butoxycarbonylanilino)-6-methyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-tert-butoxycarbonylanilino)-6-methyl-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1NC2=CC=C(C=C2)C(=O)OC(C)(C)C)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1NC2=CC=C(C=C2)C(=O)OC(C)(C)C)SC)C

InChI

InChI=1S/C20H25N3O4S/c1-7-26-18(25)15-12(2)21-19(28-6)23-16(15)22-14-10-8-13(9-11-14)17(24)27-20(3,4)5/h8-11H,7H2,1-6H3,(H,21,22,23)