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

Systemtic Name: 8-bromanyl-9-(2-fluoranylpropyl)-2-(3-phenylpropoxy)purin-6-amine Openeye Name: 8-bromo-9-(2-fluoropropyl)-2-(3-phenylpropoxy)purin-6-amine CAS Name: 8-bromo-9-(2-fluoropropyl)-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: 8-bromo-9-(2-fluoropropyl)-2-(3-phenylpropoxy)purin-6-amine Traditional Name: [8-bromo-9-(2-fluoropropyl)-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C17H19BrFN5O MolecularWeight: 408.268063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrFN5O/c1-11(19)10-24-15-13(21-16(24)18)14(20)22-17(23-15)25-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H2,20,22,23)