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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(propylcarbamoyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(propylcarbamoyloxy)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[oxo(propylamino)methoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(propylcarbamoyloxy)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(propylcarbamoyloxy)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-4-10-19-18(24)26-13-8-6-12(7-9-13)21-15-14(16(23)25-5-2)11-20-17(22-15)27-3/h6-9,11H,4-5,10H2,1-3H3,(H,19,24)(H,20,21,22)