4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidine-1-carboxamide

Systemtic Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidine-1-carboxamide Openeye Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]piperidine-1-carboxamide CAS Name: 4-[2-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]-1-piperidinecarboxamide IUPAC Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidine-1-carboxamide Traditional Name: 4-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]piperidine-1-carboxamide Formula: C21H35N7O MolecularWeight: 401.5489

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCCN3C4CCN(CC4)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCCN3C4CCN(CC4)C(=O)N

InChI

InChI=1S/C21H35N7O/c22-20(29)27-15-9-17(10-16-27)28-14-6-3-7-19(28)25-21-23-11-8-18(24-21)26-12-4-1-2-5-13-26/h8,11,17,19H,1-7,9-10,12-16H2,(H2,22,29)(H,23,24,25)