1-(3-oxidanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-(3-oxidanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-phenyl-prop-2-yn-1-one Openeye Name: 1-(3-hydroxy-4-pyrimidin-2-yl-piperazin-1-yl)-3-phenyl-prop-2-yn-1-one CAS Name: 1-[3-hydroxy-4-(2-pyrimidinyl)-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-(3-hydroxy-4-pyrimidin-2-ylpiperazin-1-yl)-3-phenylprop-2-yn-1-one Traditional Name: 1-[3-hydroxy-4-(2-pyrimidyl)piperazino]-3-phenyl-prop-2-yn-1-one Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C#CC2=CC=CC=C2)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(C(CN1C(=O)C#CC2=CC=CC=C2)O)C3=NC=CC=N3

InChI

InChI=1S/C17H16N4O2/c22-15(8-7-14-5-2-1-3-6-14)20-11-12-21(16(23)13-20)17-18-9-4-10-19-17/h1-6,9-10,16,23H,11-13H2