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

Systemtic Name: 8-bromanyl-9-methyl-2-(3-phenylpropoxy)purin-6-amine Openeye Name: 8-bromo-9-methyl-2-(3-phenylpropoxy)purin-6-amine CAS Name: 8-bromo-9-methyl-2-(3-phenylpropoxy)-6-purinamine IUPAC Name: 8-bromo-9-methyl-2-(3-phenylpropoxy)purin-6-amine Traditional Name: [8-bromo-9-methyl-2-(3-phenylpropoxy)purin-6-yl]amine Formula: C15H16BrN5O MolecularWeight: 362.22444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN5O/c1-21-13-11(18-14(21)16)12(17)19-15(20-13)22-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,17,19,20)