4-(azepan-1-yl)-N-[1-(2-ethylhexyl)piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-(2-ethylhexyl)piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(2-ethylhexyl)-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(2-ethylhexyl)-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(2-ethylhexyl)piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(2-ethylhexyl)-3-piperidyl]amine Formula: C23H41N5 MolecularWeight: 387.60514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CCCC(C1)NC2=NC=CC(=N2)N3CCCCCC3

Isomeric SMILES

CCCCC(CC)CN1CCCC(C1)NC2=NC=CC(=N2)N3CCCCCC3

InChI

InChI=1S/C23H41N5/c1-3-5-11-20(4-2)18-27-15-10-12-21(19-27)25-23-24-14-13-22(26-23)28-16-8-6-7-9-17-28/h13-14,20-21H,3-12,15-19H2,1-2H3,(H,24,25,26)