4-[[9-ethyl-6-[(4-fluorophenyl)amino]purin-2-yl]amino]butylazanium

Systemtic Name: 4-[[9-ethyl-6-[(4-fluorophenyl)amino]purin-2-yl]amino]butylazanium Openeye Name: 4-[[9-ethyl-6-(4-fluoroanilino)purin-2-yl]amino]butylammonium CAS Name: 4-[[9-ethyl-6-(4-fluoroanilino)-2-purinyl]amino]butylammonium IUPAC Name: 4-[[9-ethyl-6-(4-fluoroanilino)purin-2-yl]amino]butylazanium Traditional Name: 4-[[9-ethyl-6-(4-fluoroanilino)purin-2-yl]amino]butylammonium Formula: C17H23FN7+ MolecularWeight: 344.409823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)F)NCCCC[NH3+]

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)F)NCCCC[NH3+]

InChI

InChI=1S/C17H22FN7/c1-2-25-11-21-14-15(22-13-7-5-12(18)6-8-13)23-17(24-16(14)25)20-10-4-3-9-19/h5-8,11H,2-4,9-10,19H2,1H3,(H2,20,22,23,24)/p+1