[[4-(azepan-4-yl)pyrimidin-2-yl]amino] 1-piperidin-1-ylcyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)ONC2=NC=CC(=N2)C3CCCNCC3)N4CCCCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)ONC2=NC=CC(=N2)C3CCCNCC3)N4CCCCC4

InChI

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