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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN(C1=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl)C

Isomeric SMILES

CC1=C(N=CN(C1=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl)C

InChI

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