4-(azepan-1-yl)-N-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidin-3-yl]amine Formula: C24H39N5 MolecularWeight: 397.59996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCN1CCC(C1)NC2=NC=CC(=N2)N3CCCCCC3)C)C

Isomeric SMILES

CC(=CCC/C(=C/CN1CCC(C1)NC2=NC=CC(=N2)N3CCCCCC3)/C)C

InChI

InChI=1S/C24H39N5/c1-20(2)9-8-10-21(3)12-17-28-18-13-22(19-28)26-24-25-14-11-23(27-24)29-15-6-4-5-7-16-29/h9,11-12,14,22H,4-8,10,13,15-19H2,1-3H3,(H,25,26,27)/b21-12+