(2,6-dimethoxypyrimidin-4-yl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2,6-dimethoxy-4-pyrimidinyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2,6-dimethoxypyrimidin-4-yl)-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=NC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC

InChI

InChI=1S/C19H21N5O5S2/c1-28-16-11-14(20-18(22-16)29-2)17(25)23-6-8-24(9-7-23)19-21-13-5-4-12(31(3,26)27)10-15(13)30-19/h4-5,10-11H,6-9H2,1-3H3