5-ethyl-6-ethynyl-2-phenyl-3-prop-2-ynyl-pyrimidin-4-one

Systemtic Name: 5-ethyl-6-ethynyl-2-phenyl-3-prop-2-ynyl-pyrimidin-4-one Openeye Name: 5-ethyl-6-ethynyl-2-phenyl-3-prop-2-ynyl-pyrimidin-4-one CAS Name: 5-ethyl-6-ethynyl-2-phenyl-3-prop-2-ynyl-4-pyrimidinone IUPAC Name: 5-ethyl-6-ethynyl-2-phenyl-3-prop-2-ynylpyrimidin-4-one Traditional Name: 5-ethyl-6-ethynyl-2-phenyl-3-propargyl-pyrimidin-4-one Formula: C17H14N2O MolecularWeight: 262.30586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CC#C)C2=CC=CC=C2)C#C

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CC#C)C2=CC=CC=C2)C#C

InChI

InChI=1S/C17H14N2O/c1-4-12-19-16(13-10-8-7-9-11-13)18-15(6-3)14(5-2)17(19)20/h1,3,7-11H,5,12H2,2H3