2,6-bis(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]pyrimidin-4-amine

Systemtic Name: 2,6-bis(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]pyrimidin-4-amine Openeye Name: 2,6-bis(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methyleneamino]pyrimidin-4-amine CAS Name: 2,6-bis(1-azepanyl)-N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyrimidinamine IUPAC Name: 2,6-bis(azepan-1-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]pyrimidin-4-amine Traditional Name: [2,6-bis(azepan-1-yl)pyrimidin-4-yl]-[(E)-(4-chlorobenzylidene)amino]amine Formula: C23H31ClN6 MolecularWeight: 426.98544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC(=N2)N3CCCCCC3)NN=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC(=N2)N3CCCCCC3)N/N=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H31ClN6/c24-20-11-9-19(10-12-20)18-25-28-21-17-22(29-13-5-1-2-6-14-29)27-23(26-21)30-15-7-3-4-8-16-30/h9-12,17-18H,1-8,13-16H2,(H,26,27,28)/b25-18+