4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]piperazin-2-one

Systemtic Name: 4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]piperazin-2-one Openeye Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]piperazin-2-one CAS Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[[2-(dimethylamino)-4-pyrimidinyl]methyl]-2-piperazinone IUPAC Name: 4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]piperazin-2-one Traditional Name: 4-(6-chlorobenzothiophen-2-yl)sulfonyl-1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]piperazin-2-one Formula: C19H20ClN5O3S2 MolecularWeight: 465.9768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=N1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CN(C)C1=NC=CC(=N1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN5O3S2/c1-23(2)19-21-6-5-15(22-19)11-24-7-8-25(12-17(24)26)30(27,28)18-9-13-3-4-14(20)10-16(13)29-18/h3-6,9-10H,7-8,11-12H2,1-2H3