2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexyl]ethanoate

Systemtic Name: 2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexyl]ethanoate Openeye Name: 2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-(1-piperidyl)cyclohexyl]acetate CAS Name: 2-[2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-(1-piperidinyl)cyclohexyl]acetate IUPAC Name: 2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-ylcyclohexyl]acetate Traditional Name: 2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidino-cyclohexyl]acetate Formula: C23H36N5O2- MolecularWeight: 414.56424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)CC(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)CC(=O)[O-]

InChI

InChI=1S/C23H37N5O2/c29-21(30)17-23(28-15-4-1-5-16-28)11-3-2-8-20(23)27-22-25-14-10-19(26-22)18-7-6-12-24-13-9-18/h10,14,18,20,24H,1-9,11-13,15-17H2,(H,29,30)(H,25,26,27)/p-1