8-bromanyl-9-[(E)-hept-4-enyl]-N2-phenethyl-purine-2,6-diamine

Systemtic Name: 8-bromanyl-9-[(E)-hept-4-enyl]-N2-phenethyl-purine-2,6-diamine Openeye Name: 8-bromo-9-[(E)-hept-4-enyl]-N2-phenethyl-purine-2,6-diamine CAS Name: 8-bromo-9-[(E)-hept-4-enyl]-N2-phenethylpurine-2,6-diamine IUPAC Name: 8-bromo-9-[(E)-hept-4-enyl]-2-N-phenethylpurine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-[(E)-hept-4-enyl]purin-2-yl]-phenethyl-amine Formula: C20H25BrN6 MolecularWeight: 429.3567

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC/C=C/CCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C20H25BrN6/c1-2-3-4-5-9-14-27-18-16(24-19(27)21)17(22)25-20(26-18)23-13-12-15-10-7-6-8-11-15/h3-4,6-8,10-11H,2,5,9,12-14H2,1H3,(H3,22,23,25,26)/b4-3+