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

Systemtic Name: ethyl 4-[(4-butoxyphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-butoxyanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-butoxyanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-butoxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C18H23N3O3S/c1-4-6-11-24-14-9-7-13(8-10-14)20-16-15(17(22)23-5-2)12-19-18(21-16)25-3/h7-10,12H,4-6,11H2,1-3H3,(H,19,20,21)