2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H28N8OS MolecularWeight: 428.55432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C20H28N8OS/c29-17(25-11-13-26(14-12-25)18-21-7-4-8-22-18)15-30-20-24-23-19(28(20)16-5-6-16)27-9-2-1-3-10-27/h4,7-8,16H,1-3,5-6,9-15H2