2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H25N7OS2 MolecularWeight: 419.5674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H25N7OS2/c26-15(24-9-11-25(12-10-24)16-19-7-4-8-20-16)13-27-18-23-22-17(28-18)21-14-5-2-1-3-6-14/h4,7-8,14H,1-3,5-6,9-13H2,(H,21,22)