2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)pteridin-4-amine

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)pteridin-4-amine Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)pteridin-4-amine CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-N-(4-fluorophenyl)-4-pteridinamine IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-fluorophenyl)pteridin-4-amine Traditional Name: [2-(4-ethylpiperazin-4-ium-1-yl)pteridin-4-yl]-(4-fluorophenyl)amine Formula: C18H21FN7+ MolecularWeight: 354.404643

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=NC=CN=C3C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=NC=CN=C3C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C18H20FN7/c1-2-25-9-11-26(12-10-25)18-23-16-15(20-7-8-21-16)17(24-18)22-14-5-3-13(19)4-6-14/h3-8H,2,9-12H2,1H3,(H,21,22,23,24)/p+1