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

Systemtic Name: 3-(4-tert-butylphenyl)-1-(3-oxidanyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-(3-hydroxy-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[3-hydroxy-4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-tert-butylphenyl)-1-(3-hydroxy-4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-[3-hydroxy-4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C21H24N4O2 MolecularWeight: 364.44086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-21(2,3)17-8-5-16(6-9-17)7-10-18(26)24-13-14-25(19(27)15-24)20-22-11-4-12-23-20/h4-6,8-9,11-12,19,27H,13-15H2,1-3H3