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

Systemtic Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Openeye Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine CAS Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Traditional Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]propyl]piperazino]pyrimidine Formula: C25H39N7S MolecularWeight: 469.68906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NN=C(N3C)C4CC4)C5CCC5

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NN=C(N3C)C4CC4)C5CCC5

InChI

InChI=1S/C25H39N7S/c1-25(2,3)23-26-20(18-7-5-8-18)17-21(27-23)32-14-12-31(13-15-32)11-6-16-33-24-29-28-22(30(24)4)19-9-10-19/h17-19H,5-16H2,1-4H3