2-chloranyl-N-[(3-nitrophenyl)methyl]-7H-purin-6-amine

Systemtic Name: 2-chloranyl-N-[(3-nitrophenyl)methyl]-7H-purin-6-amine Openeye Name: 2-chloro-N-[(3-nitrophenyl)methyl]-7H-purin-6-amine CAS Name: 2-chloro-N-[(3-nitrophenyl)methyl]-7H-purin-6-amine IUPAC Name: 2-chloro-N-[(3-nitrophenyl)methyl]-7H-purin-6-amine Traditional Name: (2-chloro-7H-purin-6-yl)-(3-nitrobenzyl)amine Formula: C12H9ClN6O2 MolecularWeight: 304.69186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=NC(=NC3=C2NC=N3)Cl

InChI

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