N2-(2-azanylethyl)-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine

Systemtic Name: N2-(2-azanylethyl)-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine Openeye Name: N2-(2-aminoethyl)-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine CAS Name: N2-(2-aminoethyl)-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine IUPAC Name: 2-N-(2-aminoethyl)-9-ethyl-6-N-(3-nitrophenyl)purine-2,6-diamine Traditional Name: 2-aminoethyl-[9-ethyl-6-(3-nitroanilino)purin-2-yl]amine Formula: C15H18N8O2 MolecularWeight: 342.35582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NCCN

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NCCN

InChI

InChI=1S/C15H18N8O2/c1-2-22-9-18-12-13(20-15(17-7-6-16)21-14(12)22)19-10-4-3-5-11(8-10)23(24)25/h3-5,8-9H,2,6-7,16H2,1H3,(H2,17,19,20,21)