N-[(4-nitrophenyl)methyl]-7H-purin-6-amine

Systemtic Name: N-[(4-nitrophenyl)methyl]-7H-purin-6-amine Openeye Name: N-[(4-nitrophenyl)methyl]-7H-purin-6-amine CAS Name: N-[(4-nitrophenyl)methyl]-7H-purin-6-amine IUPAC Name: N-[(4-nitrophenyl)methyl]-7H-purin-6-amine Traditional Name: (4-nitrobenzyl)-(7H-purin-6-yl)amine Formula: C12H10N6O2 MolecularWeight: 270.2468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O2/c19-18(20)9-3-1-8(2-4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7H,5H2,(H2,13,14,15,16,17)