N-(4-fluorophenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pteridin-4-amine

Systemtic Name: N-(4-fluorophenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pteridin-4-amine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)pteridin-4-amine CAS Name: N-(4-fluorophenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pteridinamine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)pteridin-4-amine Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)pteridin-4-yl]-(4-fluorophenyl)amine Formula: C23H23FN7+ MolecularWeight: 416.474023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=NC=CN=C4C(=N3)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=NC=CN=C4C(=N3)NC5=CC=C(C=C5)F

InChI

InChI=1S/C23H22FN7/c24-18-6-8-19(9-7-18)27-22-20-21(26-11-10-25-20)28-23(29-22)31-14-12-30(13-15-31)16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,26,27,28,29)/p+1