ethyl 4-[[4-(2-ethylbutanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(2-ethylbutanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-ethylbutanoyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-(2-ethyl-1-oxobutoxy)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethylbutanoyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-ethylbutanoyloxy)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCC(CC)C(=O)OC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

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