2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-(4-nitrophenyl)purin-6-amine

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-(4-nitrophenyl)purin-6-amine Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-(4-nitrophenyl)purin-6-amine CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-9-methyl-N-(4-nitrophenyl)-6-purinamine IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-(4-nitrophenyl)purin-6-amine Traditional Name: [2-(3,5-dimethylpyrazol-1-yl)-9-methyl-purin-6-yl]-(4-nitrophenyl)amine Formula: C17H16N8O2 MolecularWeight: 364.36134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C(=N2)NC4=CC=C(C=C4)[N+](=O)[O-])N=CN3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C(=N2)NC4=CC=C(C=C4)[N+](=O)[O-])N=CN3C)C

InChI

InChI=1S/C17H16N8O2/c1-10-8-11(2)24(22-10)17-20-15(14-16(21-17)23(3)9-18-14)19-12-4-6-13(7-5-12)25(26)27/h4-9H,1-3H3,(H,19,20,21)