[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)methanone

Systemtic Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)methanone Openeye Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)methanone CAS Name: [4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-[5-chloro-2-(methylthio)-4-pyrimidinyl]methanone IUPAC Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloro-2-methylsulfanylpyrimidin-4-yl)methanone Traditional Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-[5-chloro-2-(methylthio)pyrimidin-4-yl]methanone Formula: C21H21ClN8OS MolecularWeight: 468.96244

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)Cl

InChI

InChI=1S/C21H21ClN8OS/c1-32-21-24-12-15(22)18(25-21)20(31)28-9-6-14(7-10-28)19-23-8-11-29(19)13-30-17-5-3-2-4-16(17)26-27-30/h2-5,8,11-12,14H,6-7,9-10,13H2,1H3