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

Systemtic Name: ethyl 4-[(4-ethoxycarbonylphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-ethoxycarbonylphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(4-ethoxycarbonylanilino)-oxomethyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxycarbonylphenyl)carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(4-carbethoxyphenyl)carbamoylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-4-26-15(23)11-6-8-12(9-7-11)20-17(25)21-14-13(16(24)27-5-2)10-19-18(22-14)28-3/h6-10H,4-5H2,1-3H3,(H2,19,20,21,22,25)