8-bromanyl-9-pentyl-2-phenethyloxy-purin-6-amine

Systemtic Name: 8-bromanyl-9-pentyl-2-phenethyloxy-purin-6-amine Openeye Name: 8-bromo-9-pentyl-2-phenethyloxy-purin-6-amine CAS Name: 8-bromo-9-pentyl-2-phenethyloxy-6-purinamine IUPAC Name: 8-bromo-9-pentyl-2-phenethyloxypurin-6-amine Traditional Name: (9-amyl-8-bromo-2-phenethyloxy-purin-6-yl)amine Formula: C18H22BrN5O MolecularWeight: 404.30418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CCCCCN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C18H22BrN5O/c1-2-3-7-11-24-16-14(21-17(24)19)15(20)22-18(23-16)25-12-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H2,20,22,23)