1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C18H29N5O3S2 MolecularWeight: 427.58456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H29N5O3S2/c1-15-13-16(2)20-18(19-15)27-14-17(24)21-9-11-23(12-10-21)28(25,26)22-7-5-3-4-6-8-22/h13H,3-12,14H2,1-2H3