[[4-(azepan-4-yl)pyrimidin-2-yl]amino] N-(1-piperidin-1-ylcyclohexyl)carbamate

Systemtic Name: [[4-(azepan-4-yl)pyrimidin-2-yl]amino] N-(1-piperidin-1-ylcyclohexyl)carbamate Openeye Name: [[4-(azepan-4-yl)pyrimidin-2-yl]amino] N-[1-(1-piperidyl)cyclohexyl]carbamate CAS Name: N-[1-(1-piperidinyl)cyclohexyl]carbamic acid [[4-(4-azepanyl)-2-pyrimidinyl]amino] ester IUPAC Name: [[4-(azepan-4-yl)pyrimidin-2-yl]amino] N-(1-piperidin-1-ylcyclohexyl)carbamate Traditional Name: N-(1-piperidinocyclohexyl)carbamic acid [[4-(azepan-4-yl)pyrimidin-2-yl]amino] ester Formula: C22H36N6O2 MolecularWeight: 416.56024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N6O2/c29-21(26-22(11-3-1-4-12-22)28-16-5-2-6-17-28)30-27-20-24-15-10-19(25-20)18-8-7-13-23-14-9-18/h10,15,18,23H,1-9,11-14,16-17H2,(H,26,29)(H,24,25,27)