N-[(2-chloranyl-5-nitro-phenyl)methyl]-5H-purin-6-amine

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-5H-purin-6-amine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-5H-purin-6-amine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-5H-purin-6-amine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-5H-purin-6-amine Traditional Name: (2-chloro-5-nitro-benzyl)-(5H-purin-6-yl)amine Formula: C12H9ClN6O2 MolecularWeight: 304.69186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC2=NC=NC3=NC=NC32)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC2=NC=NC3=NC=NC32)Cl

InChI

InChI=1S/C12H9ClN6O2/c13-9-2-1-8(19(20)21)3-7(9)4-14-11-10-12(16-5-15-10)18-6-17-11/h1-3,5-6,10H,4H2,(H,14,15,16,17,18)