6-chloranyl-9-[(3-nitrophenyl)methyl]purine

Systemtic Name: 6-chloranyl-9-[(3-nitrophenyl)methyl]purine Openeye Name: 6-chloro-9-[(3-nitrophenyl)methyl]purine CAS Name: 6-chloro-9-[(3-nitrophenyl)methyl]purine IUPAC Name: 6-chloro-9-[(3-nitrophenyl)methyl]purine Traditional Name: 6-chloro-9-(3-nitrobenzyl)purine Formula: C12H8ClN5O2 MolecularWeight: 289.67722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C12H8ClN5O2/c13-11-10-12(15-6-14-11)17(7-16-10)5-8-2-1-3-9(4-8)18(19)20/h1-4,6-7H,5H2