[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[5-chloro-2-(methylthio)-4-pyrimidinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-2-methylsulfanylpyrimidin-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[5-chloro-2-(methylthio)pyrimidin-4-yl]methanone Formula: C16H24ClN5O3S2 MolecularWeight: 433.97646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C16H24ClN5O3S2/c1-26-16-18-12-13(17)14(19-16)15(23)20-8-10-22(11-9-20)27(24,25)21-6-4-2-3-5-7-21/h12H,2-11H2,1H3