2-tert-butyl-4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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-cyclopropyl-6-[4-[3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-tert-butyl-4-cyclopropyl-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-cyclopropyl-6-[4-[3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]propyl]piperazino]pyrimidine Formula: C23H37N7S MolecularWeight: 443.65178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C)SCCCN2CCN(CC2)C3=NC(=NC(=C3)C4CC4)C(C)(C)C

Isomeric SMILES

CCC1=NN=C(N1C)SCCCN2CCN(CC2)C3=NC(=NC(=C3)C4CC4)C(C)(C)C

InChI

InChI=1S/C23H37N7S/c1-6-19-26-27-22(28(19)5)31-15-7-10-29-11-13-30(14-12-29)20-16-18(17-8-9-17)24-21(25-20)23(2,3)4/h16-17H,6-15H2,1-5H3