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

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-propoxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(4-propoxyanilino)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(4-propoxyanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(4-propoxyanilino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(4-propoxyanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C17H21N3O3S/c1-4-10-23-13-8-6-12(7-9-13)19-15-14(16(21)22-5-2)11-18-17(20-15)24-3/h6-9,11H,4-5,10H2,1-3H3,(H,18,19,20)