2-[4-azanylidene-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-5-yl]ethanal

Systemtic Name: 2-[4-azanylidene-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-5-yl]ethanal Openeye Name: 2-[4-imino-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-5-yl]acetaldehyde CAS Name: 2-[4-imino-1-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-pyrazolo[3,4-d]pyrimidinyl]acetaldehyde IUPAC Name: 2-[4-imino-1-methyl-3-(1-methyl-5-nitroimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-5-yl]acetaldehyde Traditional Name: 2-[4-imino-1-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-5-yl]acetaldehyde Formula: C12H12N8O3 MolecularWeight: 316.27548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN(C3=C2C(=N)N(C=N3)CC=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN(C3=C2C(=N)N(C=N3)CC=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N8O3/c1-17-7(20(22)23)5-14-12(17)9-8-10(13)19(3-4-21)6-15-11(8)18(2)16-9/h4-6,13H,3H2,1-2H3