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

Systemtic Name: ethyl 6-pent-1-ynyl-2-phenyl-pyrimidine-4-carboxylate Openeye Name: ethyl 6-pent-1-ynyl-2-phenyl-pyrimidine-4-carboxylate CAS Name: 6-pent-1-ynyl-2-phenyl-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-pent-1-ynyl-2-phenylpyrimidine-4-carboxylate Traditional Name: 6-pent-1-ynyl-2-phenyl-pyrimidine-4-carboxylic acid ethyl ester Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2/c1-3-5-7-12-15-13-16(18(21)22-4-2)20-17(19-15)14-10-8-6-9-11-14/h6,8-11,13H,3-5H2,1-2H3