ethyl 2-[ethoxycarbonyl-(2-ethynylphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[ethoxycarbonyl-(2-ethynylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(N-ethoxycarbonyl-2-ethynyl-anilino)pyrimidine-5-carboxylate CAS Name: 2-(N-ethoxycarbonyl-2-ethynylanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(N-ethoxycarbonyl-2-ethynylanilino)pyrimidine-5-carboxylate Traditional Name: 2-(N-carbethoxy-2-ethynyl-anilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1)N(C2=CC=CC=C2C#C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1)N(C2=CC=CC=C2C#C)C(=O)OCC

InChI

InChI=1S/C18H17N3O4/c1-4-13-9-7-8-10-15(13)21(18(23)25-6-3)17-19-11-14(12-20-17)16(22)24-5-2/h1,7-12H,5-6H2,2-3H3