2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]thio]-1,3-benzothiazole IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]thio]-1,3-benzothiazole Formula: C18H20N4S2 MolecularWeight: 356.5082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCCC2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCCC2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4S2/c1-13-12-16(21-17(19-13)22-10-6-2-3-7-11-22)24-18-20-14-8-4-5-9-15(14)23-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3