2-tert-butyl-4-cyclobutyl-6-[4-[3-[(5-ethyl-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-ethyl-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-ethyl-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-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(5-ethyl-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-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]propyl]piperazino]pyrimidine Formula: C24H39N7S MolecularWeight: 457.67836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C)SCCCN2CCN(CC2)C3=NC(=NC(=C3)C4CCC4)C(C)(C)C

Isomeric SMILES

CCC1=NN=C(N1C)SCCCN2CCN(CC2)C3=NC(=NC(=C3)C4CCC4)C(C)(C)C

InChI

InChI=1S/C24H39N7S/c1-6-20-27-28-23(29(20)5)32-16-8-11-30-12-14-31(15-13-30)21-17-19(18-9-7-10-18)25-22(26-21)24(2,3)4/h17-18H,6-16H2,1-5H3