ethyl 4-[[4-(3-methylbutanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(3-methylbutanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3-methylbutanoyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-(3-methyl-1-oxobutoxy)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylbutanoyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-isovaleryloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-5-25-18(24)15-11-20-19(27-4)22-17(15)21-13-6-8-14(9-7-13)26-16(23)10-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,20,21,22)