3-[2-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-pyrimidin-4-one

Systemtic Name: 3-[2-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5,6-dimethyl-pyrimidin-4-one Openeye Name: 3-[2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]-5,6-dimethyl-pyrimidin-4-one CAS Name: 3-[2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]-5,6-dimethyl-4-pyrimidinone IUPAC Name: 3-[2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one Traditional Name: 3-[2-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]-5,6-dimethyl-pyrimidin-4-one Formula: C20H22ClN5O2S MolecularWeight: 431.93898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CN4C=NC(=C(C4=O)C)C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CN4C=NC(=C(C4=O)C)C

InChI

InChI=1S/C20H22ClN5O2S/c1-12-4-5-15(21)18-17(12)23-20(29-18)25-8-6-24(7-9-25)16(27)10-26-11-22-14(3)13(2)19(26)28/h4-5,11H,6-10H2,1-3H3