2-tert-butyl-4-cyclopropyl-6-[4-(3-pyrimidin-2-ylsulfanylpropyl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-tert-butyl-4-cyclopropyl-6-[4-(3-pyrimidin-2-ylsulfanylpropyl)piperazin-1-yl]pyrimidine Openeye Name: 2-tert-butyl-4-cyclopropyl-6-[4-(3-pyrimidin-2-ylsulfanylpropyl)piperazin-1-yl]pyrimidine CAS Name: 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-pyrimidinylthio)propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-tert-butyl-4-cyclopropyl-6-[4-(3-pyrimidin-2-ylsulfanylpropyl)piperazin-1-yl]pyrimidine Traditional Name: 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-pyrimidylthio)propyl]piperazino]pyrimidine Formula: C22H32N6S MolecularWeight: 412.59468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N6S/c1-22(2,3)20-25-18(17-6-7-17)16-19(26-20)28-13-11-27(12-14-28)10-5-15-29-21-23-8-4-9-24-21/h4,8-9,16-17H,5-7,10-15H2,1-3H3