8-bromanyl-9-[(E)-hept-4-enyl]-2-phenethyloxy-purin-6-amine

Systemtic Name: 8-bromanyl-9-[(E)-hept-4-enyl]-2-phenethyloxy-purin-6-amine Openeye Name: 8-bromo-9-[(E)-hept-4-enyl]-2-phenethyloxy-purin-6-amine CAS Name: 8-bromo-9-[(E)-hept-4-enyl]-2-phenethyloxy-6-purinamine IUPAC Name: 8-bromo-9-[(E)-hept-4-enyl]-2-phenethyloxypurin-6-amine Traditional Name: [8-bromo-9-[(E)-hept-4-enyl]-2-phenethyloxy-purin-6-yl]amine Formula: C20H24BrN5O MolecularWeight: 430.34146

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC/C=C/CCCN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C20H24BrN5O/c1-2-3-4-5-9-13-26-18-16(23-19(26)21)17(22)24-20(25-18)27-14-12-15-10-7-6-8-11-15/h3-4,6-8,10-11H,2,5,9,12-14H2,1H3,(H2,22,24,25)/b4-3+