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

Systemtic Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Openeye Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine CAS Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)thio]propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Traditional Name: 2-tert-butyl-4-cyclobutyl-6-[4-[3-[(1-methyl-1,2,4-triazol-3-yl)thio]propyl]piperazino]pyrimidine Formula: C22H35N7S MolecularWeight: 429.6252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NN(C=N3)C)C4CCC4

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NN(C=N3)C)C4CCC4

InChI

InChI=1S/C22H35N7S/c1-22(2,3)20-24-18(17-7-5-8-17)15-19(25-20)29-12-10-28(11-13-29)9-6-14-30-21-23-16-27(4)26-21/h15-17H,5-14H2,1-4H3