8-bromanyl-9-(2-methylpropyl)-2-(3-phenylpropoxy)purin-6-amine

Systemtic Name: 8-bromanyl-9-(2-methylpropyl)-2-(3-phenylpropoxy)purin-6-amine Openeye Name: 8-bromo-9-isobutyl-2-(3-phenylpropoxy)purin-6-amine CAS Name: 8-bromo-9-(2-methylpropyl)-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: 8-bromo-9-(2-methylpropyl)-2-(3-phenylpropoxy)purin-6-amine Traditional Name: [8-bromo-9-isobutyl-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C18H22BrN5O MolecularWeight: 404.30418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CC(C)CN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C18H22BrN5O/c1-12(2)11-24-16-14(21-17(24)19)15(20)22-18(23-16)25-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,20,22,23)