4-chloranyl-6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]pyrimidin-2-yl]amine Formula: C16H20ClFN5+ MolecularWeight: 336.814903

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC(=NC(=N2)N)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC(=NC(=N2)N)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H19ClFN5/c17-14-10-15(21-16(19)20-14)23-7-1-6-22(8-9-23)11-12-2-4-13(18)5-3-12/h2-5,10H,1,6-9,11H2,(H2,19,20,21)/p+1