2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-nitro-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-nitro-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-nitro-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-nitro-6-purinone IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-nitropurin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1-nitro-purin-6-one Formula: C10H12N6O7 MolecularWeight: 328.23828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N(C2=O)[N+](=O)[O-])N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N(C2=O)[N+](=O)[O-])N

InChI

InChI=1S/C10H12N6O7/c11-10-13-7-4(8(20)15(10)16(21)22)12-2-14(7)9-6(19)5(18)3(1-17)23-9/h2-3,5-6,9,17-19H,1H2,(H2,11,13)