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

Systemtic Name: ethyl 4-[(4-methylphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(p-tolylcarbamoylamino)pyrimidine-5-carboxylate CAS Name: 4-[[(4-methylanilino)-oxomethyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(p-tolylcarbamoylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC=C(C=C2)C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC=C(C=C2)C)SC

InChI

InChI=1S/C16H18N4O3S/c1-4-23-14(21)12-9-17-16(24-3)20-13(12)19-15(22)18-11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3,(H2,17,18,19,20,22)