2-tert-butyl-4-cyclobutyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]piperazin-1-yl]pyrimidine Openeye Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]piperazin-1-yl]pyrimidine CAS Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-(1H-1,2,4-triazol-5-ylthio)propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]piperazin-1-yl]pyrimidine Traditional Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-(1H-1,2,4-triazol-5-ylthio)propyl]piperazino]pyrimidine Formula: C21H33N7S MolecularWeight: 415.59862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NC=NN3)C4CCC4

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NC=NN3)C4CCC4

InChI

InChI=1S/C21H33N7S/c1-21(2,3)19-24-17(16-6-4-7-16)14-18(25-19)28-11-9-27(10-12-28)8-5-13-29-20-22-15-23-26-20/h14-16H,4-13H2,1-3H3,(H,22,23,26)