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

Systemtic Name: N2-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(4-nitrophenyl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-(4-nitrobenzyl)purin-2-yl]-butyl-amine Formula: C16H19N7O2 MolecularWeight: 341.36776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O2/c1-2-3-8-18-16-20-14(17)13-15(21-16)22(10-19-13)9-11-4-6-12(7-5-11)23(24)25/h4-7,10H,2-3,8-9H2,1H3,(H3,17,18,20,21)