ethyl 5-methyl-6-oxidanylidene-2-phenyl-1-prop-2-ynyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 5-methyl-6-oxidanylidene-2-phenyl-1-prop-2-ynyl-pyrimidine-4-carboxylate Openeye Name: ethyl 5-methyl-6-oxo-2-phenyl-1-prop-2-ynyl-pyrimidine-4-carboxylate CAS Name: 5-methyl-6-oxo-2-phenyl-1-prop-2-ynyl-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-6-oxo-2-phenyl-1-prop-2-ynylpyrimidine-4-carboxylate Traditional Name: 6-keto-5-methyl-2-phenyl-1-propargyl-pyrimidine-4-carboxylic acid ethyl ester Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(C(=N1)C2=CC=CC=C2)CC#C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(C(=N1)C2=CC=CC=C2)CC#C)C

InChI

InChI=1S/C17H16N2O3/c1-4-11-19-15(13-9-7-6-8-10-13)18-14(12(3)16(19)20)17(21)22-5-2/h1,6-10H,5,11H2,2-3H3