8-bromanyl-9-(2-methylpropyl)-2-phenethyloxy-purin-6-amine

Systemtic Name: 8-bromanyl-9-(2-methylpropyl)-2-phenethyloxy-purin-6-amine Openeye Name: 8-bromo-9-isobutyl-2-phenethyloxy-purin-6-amine CAS Name: 8-bromo-9-(2-methylpropyl)-2-phenethyloxy-6-purinamine IUPAC Name: 8-bromo-9-(2-methylpropyl)-2-phenethyloxypurin-6-amine Traditional Name: (8-bromo-9-isobutyl-2-phenethyloxy-purin-6-yl)amine Formula: C17H20BrN5O MolecularWeight: 390.2776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C17H20BrN5O/c1-11(2)10-23-15-13(20-16(23)18)14(19)21-17(22-15)24-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,19,21,22)