8-bromanyl-9-pentyl-N2-phenethyl-purine-2,6-diamine

Systemtic Name: 8-bromanyl-9-pentyl-N2-phenethyl-purine-2,6-diamine Openeye Name: 8-bromo-9-pentyl-N2-phenethyl-purine-2,6-diamine CAS Name: 8-bromo-9-pentyl-N2-phenethylpurine-2,6-diamine IUPAC Name: 8-bromo-9-pentyl-2-N-phenethylpurine-2,6-diamine Traditional Name: (6-amino-9-amyl-8-bromo-purin-2-yl)-phenethyl-amine Formula: C18H23BrN6 MolecularWeight: 403.31942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CCCCCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C18H23BrN6/c1-2-3-7-12-25-16-14(22-17(25)19)15(20)23-18(24-16)21-11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H3,20,21,23,24)