3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2,6-ditert-butyl-phenol Openeye Name: 3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2,6-ditert-butyl-phenol CAS Name: 3-[[[4-(4-azepanyl)-2-pyrimidinyl]amino]-(1-azetidinyl)methyl]-2,6-ditert-butylphenol IUPAC Name: 3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2,6-ditert-butylphenol Traditional Name: 3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2,6-ditert-butyl-phenol Formula: C28H43N5O MolecularWeight: 465.67392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)C(NC2=NC=CC(=N2)C3CCCNCC3)N4CCC4)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)C(NC2=NC=CC(=N2)C3CCCNCC3)N4CCC4)C(C)(C)C)O

InChI

InChI=1S/C28H43N5O/c1-27(2,3)21-11-10-20(23(24(21)34)28(4,5)6)25(33-17-8-18-33)32-26-30-16-13-22(31-26)19-9-7-14-29-15-12-19/h10-11,13,16,19,25,29,34H,7-9,12,14-15,17-18H2,1-6H3,(H,30,31,32)