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

Systemtic Name: 2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexyl]propanoic acid Openeye Name: 2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-(1-piperidyl)cyclohexyl]propanoic acid CAS Name: 2-[2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-(1-piperidinyl)cyclohexyl]propanoic acid IUPAC Name: 2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-ylcyclohexyl]propanoic acid Traditional Name: 2-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidino-cyclohexyl]propionic acid Formula: C24H39N5O2 MolecularWeight: 429.59876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C1(CCCCC1NC2=NC=CC(=N2)C3CCCNCC3)N4CCCCC4

Isomeric SMILES

CC(C(=O)O)C1(CCCCC1NC2=NC=CC(=N2)C3CCCNCC3)N4CCCCC4

InChI

InChI=1S/C24H39N5O2/c1-18(22(30)31)24(29-16-5-2-6-17-29)12-4-3-9-21(24)28-23-26-15-11-20(27-23)19-8-7-13-25-14-10-19/h11,15,18-19,21,25H,2-10,12-14,16-17H2,1H3,(H,30,31)(H,26,27,28)