N-[(E)-4-fluoranyl-3-methyl-but-2-enyl]-7H-purin-6-amine

Systemtic Name: N-[(E)-4-fluoranyl-3-methyl-but-2-enyl]-7H-purin-6-amine Openeye Name: N-[(E)-4-fluoro-3-methyl-but-2-enyl]-7H-purin-6-amine CAS Name: N-[(E)-4-fluoro-3-methylbut-2-enyl]-7H-purin-6-amine IUPAC Name: N-[(E)-4-fluoro-3-methylbut-2-enyl]-7H-purin-6-amine Traditional Name: [(E)-4-fluoro-3-methyl-but-2-enyl]-(7H-purin-6-yl)amine Formula: C10H12FN5 MolecularWeight: 221.234183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1NC=N2)CF

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1NC=N2)/CF

InChI

InChI=1S/C10H12FN5/c1-7(4-11)2-3-12-9-8-10(14-5-13-8)16-6-15-9/h2,5-6H,3-4H2,1H3,(H2,12,13,14,15,16)/b7-2+