8-bromanyl-9-(cyclohexylmethyl)-N2-phenethyl-purine-2,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)N=C2Br

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)N=C2Br

InChI

InChI=1S/C20H25BrN6/c21-19-24-16-17(22)25-20(23-12-11-14-7-3-1-4-8-14)26-18(16)27(19)13-15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H3,22,23,25,26)