(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2-methylsulfanyl-4-phenyl-pyrimidin-5-yl)methanone CAS Name: [2-(methylthio)-4-phenyl-5-pyrimidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(2-methylsulfanyl-4-phenylpyrimidin-5-yl)methanone Traditional Name: (4-benzylpiperazino)-[2-(methylthio)-4-phenyl-pyrimidin-5-yl]methanone Formula: C23H24N4OS MolecularWeight: 404.52786

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)CC4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-29-23-24-16-20(21(25-23)19-10-6-3-7-11-19)22(28)27-14-12-26(13-15-27)17-18-8-4-2-5-9-18/h2-11,16H,12-15,17H2,1H3