3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Systemtic Name: 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Openeye Name: 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine CAS Name: 3-[(5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine IUPAC Name: 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine Traditional Name: 3-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylthio]-6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepine Formula: C16H20N6S MolecularWeight: 328.4352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=CN12)CSC3=NN=C4N3CCCCC4)C

Isomeric SMILES

CC1=CC(=NC2=NC(=CN12)CSC3=NN=C4N3CCCCC4)C

InChI

InChI=1S/C16H20N6S/c1-11-8-12(2)22-9-13(18-15(22)17-11)10-23-16-20-19-14-6-4-3-5-7-21(14)16/h8-9H,3-7,10H2,1-2H3