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

Systemtic Name: 3-(4-methylphenyl)-1-(3-oxidanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one Openeye Name: 1-(3-hydroxy-4-pyrimidin-2-yl-piperazin-1-yl)-3-(p-tolyl)prop-2-yn-1-one CAS Name: 1-[3-hydroxy-4-(2-pyrimidinyl)-1-piperazinyl]-3-(4-methylphenyl)-2-propyn-1-one IUPAC Name: 1-(3-hydroxy-4-pyrimidin-2-ylpiperazin-1-yl)-3-(4-methylphenyl)prop-2-yn-1-one Traditional Name: 1-[3-hydroxy-4-(2-pyrimidyl)piperazino]-3-(p-tolyl)prop-2-yn-1-one Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)O)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)O)C3=NC=CC=N3

InChI

InChI=1S/C18H18N4O2/c1-14-3-5-15(6-4-14)7-8-16(23)21-11-12-22(17(24)13-21)18-19-9-2-10-20-18/h2-6,9-10,17,24H,11-13H2,1H3