2-tert-butyl-4-ethyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol

Systemtic Name: 2-tert-butyl-4-ethyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol Openeye Name: 2-tert-butyl-4-ethyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol CAS Name: 2-tert-butyl-4-ethyl-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenol IUPAC Name: 2-tert-butyl-4-ethyl-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol Traditional Name: 2-tert-butyl-4-ethyl-6-[[4-(2-pyrimidyl)piperazino]methyl]phenol Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H30N4O/c1-5-16-13-17(19(26)18(14-16)21(2,3)4)15-24-9-11-25(12-10-24)20-22-7-6-8-23-20/h6-8,13-14,26H,5,9-12,15H2,1-4H3