4-(azepan-1-yl)-N-(1-oct-2-ynylpiperidin-3-yl)pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-(1-oct-2-ynylpiperidin-3-yl)pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-(1-oct-2-ynyl-3-piperidyl)pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-(1-oct-2-ynyl-3-piperidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-(1-oct-2-ynylpiperidin-3-yl)pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-(1-oct-2-ynyl-3-piperidyl)amine Formula: C23H37N5 MolecularWeight: 383.57338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCN1CCCC(C1)NC2=NC=CC(=N2)N3CCCCCC3

Isomeric SMILES

CCCCCC#CCN1CCCC(C1)NC2=NC=CC(=N2)N3CCCCCC3

InChI

InChI=1S/C23H37N5/c1-2-3-4-5-6-9-16-27-17-12-13-21(20-27)25-23-24-15-14-22(26-23)28-18-10-7-8-11-19-28/h14-15,21H,2-5,7-8,10-13,16-20H2,1H3,(H,24,25,26)