2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H28N6O3S2 MolecularWeight: 476.61542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O3S2/c28-20(25-12-14-26(15-13-25)21-22-8-5-9-23-21)17-31-19-7-6-18(16-24-19)32(29,30)27-10-3-1-2-4-11-27/h5-9,16H,1-4,10-15,17H2