ethyl 4-[(4-ethylphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-ethylphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-ethylphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(4-ethylanilino)-oxomethyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylphenyl)carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(4-ethylphenyl)carbamoylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C17H20N4O3S/c1-4-11-6-8-12(9-7-11)19-16(23)20-14-13(15(22)24-5-2)10-18-17(21-14)25-3/h6-10H,4-5H2,1-3H3,(H2,18,19,20,21,23)