2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]-1,3-benzothiazole CAS Name: 2-[[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidino]methyl]-1,3-benzothiazole Formula: C23H28N4OS2 MolecularWeight: 440.62462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)CC3=NC4=CC=CC=C4S3)SCC5CCCO5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)CC3=NC4=CC=CC=C4S3)SCC5CCCO5

InChI

InChI=1S/C23H28N4OS2/c1-16-12-24-23(29-15-18-7-5-11-28-18)26-22(16)17-6-4-10-27(13-17)14-21-25-19-8-2-3-9-20(19)30-21/h2-3,8-9,12,17-18H,4-7,10-11,13-15H2,1H3