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

Systemtic Name: [[4-(azepan-1-yl)pyrimidin-2-yl]amino] 4-piperidin-1-ylpiperidine-1-carboxylate Openeye Name: [[4-(azepan-1-yl)pyrimidin-2-yl]amino] 4-(1-piperidyl)piperidine-1-carboxylate CAS Name: 4-(1-piperidinyl)-1-piperidinecarboxylic acid [[4-(1-azepanyl)-2-pyrimidinyl]amino] ester IUPAC Name: [[4-(azepan-1-yl)pyrimidin-2-yl]amino] 4-piperidin-1-ylpiperidine-1-carboxylate Traditional Name: 4-piperidinopiperidine-1-carboxylic acid [[4-(azepan-1-yl)pyrimidin-2-yl]amino] ester Formula: C21H34N6O2 MolecularWeight: 402.53366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NOC(=O)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NOC(=O)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C21H34N6O2/c28-21(27-16-9-18(10-17-27)25-12-6-3-7-13-25)29-24-20-22-11-8-19(23-20)26-14-4-1-2-5-15-26/h8,11,18H,1-7,9-10,12-17H2,(H,22,23,24)