[2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-[(3-bromophenyl)methylsulfanyl]-3-pyridyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-[(3-bromophenyl)methylthio]-3-pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-[(3-bromobenzyl)thio]-3-pyridyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H20BrN5OS MolecularWeight: 470.3854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN5OS/c22-17-5-1-4-16(14-17)15-29-19-18(6-2-7-23-19)20(28)26-10-12-27(13-11-26)21-24-8-3-9-25-21/h1-9,14H,10-13,15H2