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

Systemtic Name: ethyl 2-[(2-ethynylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(2-ethynylanilino)pyrimidine-5-carboxylate CAS Name: 2-(2-ethynylanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethynylanilino)pyrimidine-5-carboxylate Traditional Name: 2-(2-ethynylanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1)NC2=CC=CC=C2C#C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1)NC2=CC=CC=C2C#C

InChI

InChI=1S/C15H13N3O2/c1-3-11-7-5-6-8-13(11)18-15-16-9-12(10-17-15)14(19)20-4-2/h1,5-10H,4H2,2H3,(H,16,17,18)