1-[4-(diethylamino)phenyl]-3-pyrimidin-4-yl-prop-2-yn-1-one

Systemtic Name: 1-[4-(diethylamino)phenyl]-3-pyrimidin-4-yl-prop-2-yn-1-one Openeye Name: 1-[4-(diethylamino)phenyl]-3-pyrimidin-4-yl-prop-2-yn-1-one CAS Name: 1-[4-(diethylamino)phenyl]-3-(4-pyrimidinyl)-2-propyn-1-one IUPAC Name: 1-[4-(diethylamino)phenyl]-3-pyrimidin-4-ylprop-2-yn-1-one Traditional Name: 1-[4-(diethylamino)phenyl]-3-(4-pyrimidyl)prop-2-yn-1-one Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)C#CC2=NC=NC=C2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)C#CC2=NC=NC=C2

InChI

InChI=1S/C17H17N3O/c1-3-20(4-2)16-8-5-14(6-9-16)17(21)10-7-15-11-12-18-13-19-15/h5-6,8-9,11-13H,3-4H2,1-2H3