ethyl 4-[(4-methoxy-3-nitro-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-methoxy-3-nitro-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-methoxy-3-nitro-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-methoxy-3-nitrophenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxy-3-nitrophenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(4-methoxy-3-nitro-benzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)[N+](=O)[O-])SC

InChI

InChI=1S/C16H18N4O5S/c1-4-25-15(21)11-9-18-16(26-3)19-14(11)17-8-10-5-6-13(24-2)12(7-10)20(22)23/h5-7,9H,4,8H2,1-3H3,(H,17,18,19)