5,6-dimethyl-3-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]-4-pyrimidinone IUPAC Name: 5,6-dimethyl-3-[2-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]ethyl]-5,6-dimethyl-pyrimidin-4-one Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN(C1=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(N=CN(C1=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C20H23N5O4S2/c1-13-14(2)21-12-25(19(13)27)11-18(26)23-6-8-24(9-7-23)20-22-16-5-4-15(31(3,28)29)10-17(16)30-20/h4-5,10,12H,6-9,11H2,1-3H3