8-bromanyl-N2-butyl-9-(pyrazin-2-ylmethyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-(pyrazin-2-ylmethyl)purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-(pyrazin-2-ylmethyl)purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-(2-pyrazinylmethyl)purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-(pyrazin-2-ylmethyl)purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(pyrazin-2-ylmethyl)purin-2-yl]-butyl-amine Formula: C14H17BrN8 MolecularWeight: 377.24238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=NC=CN=C3)Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=NC=CN=C3)Br

InChI

InChI=1S/C14H17BrN8/c1-2-3-4-19-14-21-11(16)10-12(22-14)23(13(15)20-10)8-9-7-17-5-6-18-9/h5-7H,2-4,8H2,1H3,(H3,16,19,21,22)