9-[(4-nitrophenyl)methyl]purin-6-amine

Systemtic Name: 9-[(4-nitrophenyl)methyl]purin-6-amine Openeye Name: 9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 9-[(4-nitrophenyl)methyl]-6-purinamine IUPAC Name: 9-[(4-nitrophenyl)methyl]purin-6-amine Traditional Name: [9-(4-nitrobenzyl)purin-6-yl]amine Formula: C12H10N6O2 MolecularWeight: 270.2468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O2/c13-11-10-12(15-6-14-11)17(7-16-10)5-8-1-3-9(4-2-8)18(19)20/h1-4,6-7H,5H2,(H2,13,14,15)