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

Systemtic Name: 2-chloranyl-N,N-dimethyl-9-[(4-nitrophenyl)methyl]purin-6-amine Openeye Name: 2-chloro-N,N-dimethyl-9-[(4-nitrophenyl)methyl]purin-6-amine CAS Name: 2-chloro-N,N-dimethyl-9-[(4-nitrophenyl)methyl]-6-purinamine IUPAC Name: 2-chloro-N,N-dimethyl-9-[(4-nitrophenyl)methyl]purin-6-amine Traditional Name: [2-chloro-9-(4-nitrobenzyl)purin-6-yl]-dimethyl-amine Formula: C14H13ClN6O2 MolecularWeight: 332.74502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN6O2/c1-19(2)12-11-13(18-14(15)17-12)20(8-16-11)7-9-3-5-10(6-4-9)21(22)23/h3-6,8H,7H2,1-2H3