8-bromanyl-N2-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine

Systemtic Name: 8-bromanyl-N2-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine Openeye Name: 8-bromo-N2-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine CAS Name: 8-bromo-N2-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine IUPAC Name: 8-bromo-2-N-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-8-bromo-9-(4-nitrobenzyl)purin-2-yl]-butyl-amine Formula: C16H18BrN7O2 MolecularWeight: 420.26382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H18BrN7O2/c1-2-3-8-19-16-21-13(18)12-14(22-16)23(15(17)20-12)9-10-4-6-11(7-5-10)24(25)26/h4-7H,2-3,8-9H2,1H3,(H3,18,19,21,22)