4-(azepan-1-yl)-N-[1-(3,5,5-trimethylhexyl)piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-(3,5,5-trimethylhexyl)piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(3,5,5-trimethylhexyl)-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(3,5,5-trimethylhexyl)-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(3,5,5-trimethylhexyl)piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(3,5,5-trimethylhexyl)-3-piperidyl]amine Formula: C24H43N5 MolecularWeight: 401.63172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCCC(C1)NC2=NC=CC(=N2)N3CCCCCC3)CC(C)(C)C

Isomeric SMILES

CC(CCN1CCCC(C1)NC2=NC=CC(=N2)N3CCCCCC3)CC(C)(C)C

InChI

InChI=1S/C24H43N5/c1-20(18-24(2,3)4)12-17-28-14-9-10-21(19-28)26-23-25-13-11-22(27-23)29-15-7-5-6-8-16-29/h11,13,20-21H,5-10,12,14-19H2,1-4H3,(H,25,26,27)