ethyl 4-[(2-chlorophenyl)amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-(2-chloroanilino)pyrimidine-5-carboxylate CAS Name: 4-(2-chloroanilino)-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-(2-chloroanilino)pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-(2-chloroanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O2S/c1-2-26-19(25)15-12-22-20(27-13-14-8-4-3-5-9-14)24-18(15)23-17-11-7-6-10-16(17)21/h3-12H,2,13H2,1H3,(H,22,23,24)