ethyl 4-[[4-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(2-ethoxy-2-oxo-ethyl)phenyl]carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[[4-(2-ethoxy-2-oxoethyl)anilino]-oxomethyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[4-(2-ethoxy-2-keto-ethyl)phenyl]carbamoylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)NC2=NC(=NC=C2C(=O)OCC)SC

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)NC2=NC(=NC=C2C(=O)OCC)SC

InChI

InChI=1S/C19H22N4O5S/c1-4-27-15(24)10-12-6-8-13(9-7-12)21-18(26)22-16-14(17(25)28-5-2)11-20-19(23-16)29-3/h6-9,11H,4-5,10H2,1-3H3,(H2,20,21,22,23,26)