3-[(3-nitrophenyl)methyl]purin-6-amine

Systemtic Name: 3-[(3-nitrophenyl)methyl]purin-6-amine Openeye Name: 3-[(3-nitrophenyl)methyl]purin-6-amine CAS Name: 3-[(3-nitrophenyl)methyl]-6-purinamine IUPAC Name: 3-[(3-nitrophenyl)methyl]purin-6-amine Traditional Name: [3-(3-nitrobenzyl)purin-6-yl]amine Formula: C12H10N6O2 MolecularWeight: 270.2468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC(=C3C2=NC=N3)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC(=C3C2=NC=N3)N

InChI

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