4,6-bis(azepan-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine

Systemtic Name: 4,6-bis(azepan-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine Openeye Name: 4,6-bis(azepan-1-yl)-N-[(E)-3-pyridylmethyleneamino]-1,3,5-triazin-2-amine CAS Name: 4,6-bis(1-azepanyl)-N-[(E)-3-pyridinylmethylideneamino]-1,3,5-triazin-2-amine IUPAC Name: 4,6-bis(azepan-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazin-2-amine Traditional Name: [4,6-bis(azepan-1-yl)-s-triazin-2-yl]-[(E)-3-pyridylmethyleneamino]amine Formula: C21H30N8 MolecularWeight: 394.5165

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC(=N2)NN=CC3=CN=CC=C3)N4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC(=N2)N/N=C/C3=CN=CC=C3)N4CCCCCC4

InChI

InChI=1S/C21H30N8/c1-2-6-13-28(12-5-1)20-24-19(27-23-17-18-10-9-11-22-16-18)25-21(26-20)29-14-7-3-4-8-15-29/h9-11,16-17H,1-8,12-15H2,(H,24,25,26,27)/b23-17+