2-chloranyl-5-fluoranyl-N-[4-[1-(phenylmethyl)piperazin-1-ium-1-yl]phenyl]pyrimidin-4-amine

Systemtic Name: 2-chloranyl-5-fluoranyl-N-[4-[1-(phenylmethyl)piperazin-1-ium-1-yl]phenyl]pyrimidin-4-amine Openeye Name: N-[4-(1-benzylpiperazin-1-ium-1-yl)phenyl]-2-chloro-5-fluoro-pyrimidin-4-amine CAS Name: 2-chloro-5-fluoro-N-[4-[1-(phenylmethyl)-1-piperazin-1-iumyl]phenyl]-4-pyrimidinamine IUPAC Name: N-[4-(1-benzylpiperazin-1-ium-1-yl)phenyl]-2-chloro-5-fluoropyrimidin-4-amine Traditional Name: [4-(1-benzylpiperazin-1-ium-1-yl)phenyl]-(2-chloro-5-fluoro-pyrimidin-4-yl)amine Formula: C21H22ClFN5+ MolecularWeight: 398.884283

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC=C(C=C3)NC4=NC(=NC=C4F)Cl

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC=C(C=C3)NC4=NC(=NC=C4F)Cl

InChI

InChI=1S/C21H22ClFN5/c22-21-25-14-19(23)20(27-21)26-17-6-8-18(9-7-17)28(12-10-24-11-13-28)15-16-4-2-1-3-5-16/h1-9,14,24H,10-13,15H2,(H,25,26,27)/q+1