ethyl 4-[[3-(cyclohexylcarbamoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3-(cyclohexylcarbamoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(cyclohexylcarbamoyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-[(cyclohexylamino)-oxomethoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(cyclohexylcarbamoyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3-(cyclohexylcarbamoyloxy)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)NC3CCCCC3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)NC3CCCCC3)SC

InChI

InChI=1S/C21H26N4O4S/c1-3-28-19(26)17-13-22-20(30-2)25-18(17)23-15-10-7-11-16(12-15)29-21(27)24-14-8-5-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H,24,27)(H,22,23,25)