ethyl 6-hex-1-ynyl-2-phenyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 6-hex-1-ynyl-2-phenyl-pyrimidine-4-carboxylate Openeye Name: ethyl 6-hex-1-ynyl-2-phenyl-pyrimidine-4-carboxylate CAS Name: 6-hex-1-ynyl-2-phenyl-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hex-1-ynyl-2-phenylpyrimidine-4-carboxylate Traditional Name: 6-hex-1-ynyl-2-phenyl-pyrimidine-4-carboxylic acid ethyl ester Formula: C19H20N2O2 MolecularWeight: 308.3743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=NC(=N1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC#CC1=CC(=NC(=N1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H20N2O2/c1-3-5-6-10-13-16-14-17(19(22)23-4-2)21-18(20-16)15-11-8-7-9-12-15/h7-9,11-12,14H,3-6H2,1-2H3