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

Systemtic Name: 8-bromanyl-2-phenethyloxy-9-prop-2-enyl-purin-6-amine Openeye Name: 9-allyl-8-bromo-2-phenethyloxy-purin-6-amine CAS Name: 8-bromo-2-phenethyloxy-9-prop-2-enyl-6-purinamine IUPAC Name: 8-bromo-2-phenethyloxy-9-prop-2-enylpurin-6-amine Traditional Name: (9-allyl-8-bromo-2-phenethyloxy-purin-6-yl)amine Formula: C16H16BrN5O MolecularWeight: 374.23514

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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/C16H16BrN5O/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/h2-7H,1,8-10H2,(H2,18,20,21)