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

Systemtic Name: 2-chloranyl-9-[(4-nitrophenyl)methyl]purin-6-amine Openeye Name: 2-chloro-9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 2-chloro-9-[(4-nitrophenyl)methyl]-6-purinamine IUPAC Name: 2-chloro-9-[(4-nitrophenyl)methyl]purin-6-amine Traditional Name: [2-chloro-9-(4-nitrobenzyl)purin-6-yl]amine Formula: C12H9ClN6O2 MolecularWeight: 304.69186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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