8-bromanyl-N2-phenethyl-9-prop-2-enyl-purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-phenethyl-9-prop-2-enyl-purine-2,6-diamine Openeye Name: 9-allyl-8-bromo-N2-phenethyl-purine-2,6-diamine CAS Name: 8-bromo-N2-phenethyl-9-prop-2-enylpurine-2,6-diamine IUPAC Name: 8-bromo-2-N-phenethyl-9-prop-2-enylpurine-2,6-diamine Traditional Name: (9-allyl-6-amino-8-bromo-purin-2-yl)-phenethyl-amine Formula: C16H17BrN6 MolecularWeight: 373.25038

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br

Isomeric SMILES

C=CCN1C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)N=C1Br

InChI

InChI=1S/C16H17BrN6/c1-2-10-23-14-12(20-15(23)17)13(18)21-16(22-14)19-9-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H3,18,19,21,22)