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

Systemtic Name: 4-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[[4-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]-2,6-ditert-butylphenol Traditional Name: 4-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]methyl]-2,6-ditert-butyl-phenol Formula: C30H47N5O MolecularWeight: 493.72708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C30H47N5O/c1-29(2,3)24-19-22(20-25(27(24)36)30(4,5)6)21-34-17-12-23(13-18-34)32-28-31-14-11-26(33-28)35-15-9-7-8-10-16-35/h11,14,19-20,23,36H,7-10,12-13,15-18,21H2,1-6H3,(H,31,32,33)