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

Systemtic Name: ethyl 4-[(3-butanoyloxyphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-butanoyloxyanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-(1-oxobutoxy)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-butanoyloxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-butyryloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-4-7-15(22)25-13-9-6-8-12(10-13)20-16-14(17(23)24-5-2)11-19-18(21-16)26-3/h6,8-11H,4-5,7H2,1-3H3,(H,19,20,21)