1-(6-aminopurin-9-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol

Systemtic Name: 1-(6-aminopurin-9-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol Openeye Name: 1-(6-aminopurin-9-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol CAS Name: 1-(6-aminopurin-9-yl)-3-(2-nitro-1-imidazolyl)-2-propanol IUPAC Name: 1-(6-aminopurin-9-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol Traditional Name: 1-adenin-9-yl-3-(2-nitroimidazol-1-yl)propan-2-ol Formula: C11H12N8O3 MolecularWeight: 304.26478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])CC(CN2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CC(CN2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C11H12N8O3/c12-9-8-10(15-5-14-9)18(6-16-8)4-7(20)3-17-2-1-13-11(17)19(21)22/h1-2,5-7,20H,3-4H2,(H2,12,14,15)