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

Systemtic Name: 8-bromanyl-9-(2-methylpropyl)-N2-phenethyl-purine-2,6-diamine Openeye Name: 8-bromo-9-isobutyl-N2-phenethyl-purine-2,6-diamine CAS Name: 8-bromo-9-(2-methylpropyl)-N2-phenethylpurine-2,6-diamine IUPAC Name: 8-bromo-9-(2-methylpropyl)-2-N-phenethylpurine-2,6-diamine Traditional Name: (6-amino-8-bromo-9-isobutyl-purin-2-yl)-phenethyl-amine Formula: C17H21BrN6 MolecularWeight: 389.29284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C17H21BrN6/c1-11(2)10-24-15-13(21-16(24)18)14(19)22-17(23-15)20-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H3,19,20,22,23)