(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [2-(methylthio)-4-phenyl-5-pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanyl-4-phenylpyrimidin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(methylthio)-4-phenyl-pyrimidin-5-yl]-[4-(2-pyridyl)piperazino]methanone Formula: C21H21N5OS MolecularWeight: 391.48934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H21N5OS/c1-28-21-23-15-17(19(24-21)16-7-3-2-4-8-16)20(27)26-13-11-25(12-14-26)18-9-5-6-10-22-18/h2-10,15H,11-14H2,1H3