2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-(1-piperidyl)cyclohexanecarboxylic acid CAS Name: 2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-(1-piperidinyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-ylcyclohexane-1-carboxylic acid Traditional Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidino-cyclohexanecarboxylic acid Formula: C22H35N5O2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)C(=O)O

InChI

InChI=1S/C22H35N5O2/c28-20(29)22(27-15-4-1-5-16-27)11-3-2-8-19(22)26-21-24-14-10-18(25-21)17-7-6-12-23-13-9-17/h10,14,17,19,23H,1-9,11-13,15-16H2,(H,28,29)(H,24,25,26)