9-butyl-N-(4-fluorophenyl)-6-phenoxy-purin-2-amine

Systemtic Name: 9-butyl-N-(4-fluorophenyl)-6-phenoxy-purin-2-amine Openeye Name: 9-butyl-N-(4-fluorophenyl)-6-phenoxy-purin-2-amine CAS Name: 9-butyl-N-(4-fluorophenyl)-6-phenoxy-2-purinamine IUPAC Name: 9-butyl-N-(4-fluorophenyl)-6-phenoxypurin-2-amine Traditional Name: (9-butyl-6-phenoxy-purin-2-yl)-(4-fluorophenyl)amine Formula: C21H20FN5O MolecularWeight: 377.414803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OC3=CC=CC=C3)NC4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OC3=CC=CC=C3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN5O/c1-2-3-13-27-14-23-18-19(27)25-21(24-16-11-9-15(22)10-12-16)26-20(18)28-17-7-5-4-6-8-17/h4-12,14H,2-3,13H2,1H3,(H,24,25,26)