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

Systemtic Name: 2-tert-butyl-4-cyclopropyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Openeye Name: 2-tert-butyl-4-cyclopropyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine CAS Name: 2-tert-butyl-4-cyclopropyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)thio]propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-tert-butyl-4-cyclopropyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Traditional Name: 2-tert-butyl-4-cyclopropyl-6-[4-[3-[(1-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=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NN(C=N3)C)C4CC4

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NN(C=N3)C)C4CC4

InChI

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