ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfonyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfonyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfonyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfonyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfonylpyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-mesyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18ClN3O5S MolecularWeight: 399.84922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C16H18ClN3O5S/c1-4-25-15(21)11-9-19-16(26(3,22)23)20-14(11)18-8-10-5-6-13(24-2)12(17)7-10/h5-7,9H,4,8H2,1-3H3,(H,18,19,20)