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

Systemtic Name: 4-tert-butyl-2-cyclopropyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Openeye Name: 4-tert-butyl-2-cyclopropyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine CAS Name: 4-tert-butyl-2-cyclopropyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]propyl]-1-piperazinyl]pyrimidine IUPAC Name: 4-tert-butyl-2-cyclopropyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Traditional Name: 4-tert-butyl-2-cyclopropyl-6-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]propyl]piperazino]pyrimidine Formula: C21H33N7S MolecularWeight: 415.59862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)C2CC2)N3CCN(CC3)CCCSC4=NN=CN4C

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)C2CC2)N3CCN(CC3)CCCSC4=NN=CN4C

InChI

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