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

Systemtic Name: 8-bromanyl-9-ethyl-2-(3-phenylpropoxy)purin-6-amine Openeye Name: 8-bromo-9-ethyl-2-(3-phenylpropoxy)purin-6-amine CAS Name: 8-bromo-9-ethyl-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: 8-bromo-9-ethyl-2-(3-phenylpropoxy)purin-6-amine Traditional Name: [8-bromo-9-ethyl-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C16H18BrN5O MolecularWeight: 376.25102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)OCCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C16H18BrN5O/c1-2-22-14-12(19-15(22)17)13(18)20-16(21-14)23-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,18,20,21)