8-bromanyl-2-phenethyloxy-9-prop-2-ynyl-purin-6-amine

Systemtic Name: 8-bromanyl-2-phenethyloxy-9-prop-2-ynyl-purin-6-amine Openeye Name: 8-bromo-2-phenethyloxy-9-prop-2-ynyl-purin-6-amine CAS Name: 8-bromo-2-phenethyloxy-9-prop-2-ynyl-6-purinamine IUPAC Name: 8-bromo-2-phenethyloxy-9-prop-2-ynylpurin-6-amine Traditional Name: (8-bromo-2-phenethyloxy-9-propargyl-purin-6-yl)amine Formula: C16H14BrN5O MolecularWeight: 372.21926

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

C#CCN1C2=C(C(=NC(=N2)OCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C16H14BrN5O/c1-2-9-22-14-12(19-15(22)17)13(18)20-16(21-14)23-10-8-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H2,18,20,21)