2-[[phenyl(thiophen-2-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[phenyl(thiophen-2-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[phenyl(2-thienyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[phenyl(thiophen-2-yl)methyl]amino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[phenyl(thiophen-2-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[phenyl(2-thienyl)methyl]amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC(C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N5OS/c27-19(25-11-13-26(14-12-25)21-22-9-5-10-23-21)16-24-20(18-8-4-15-28-18)17-6-2-1-3-7-17/h1-10,15,20,24H,11-14,16H2