ethyl 4-[(3,4-dimethoxyphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3,4-dimethoxyphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3,4-dimethoxyphenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(3,4-dimethoxyanilino)-oxomethyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dimethoxyphenyl)carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3,4-dimethoxyphenyl)carbamoylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-5-26-15(22)11-9-18-17(27-4)21-14(11)20-16(23)19-10-6-7-12(24-2)13(8-10)25-3/h6-9H,5H2,1-4H3,(H2,18,19,20,21,23)