2-azanyl-9-[3-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3-azido-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(3-azido-4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C10H12N8O4 MolecularWeight: 308.25348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N8O4/c11-10-14-7-5(8(21)15-10)13-2-18(7)9-4(16-17-12)6(20)3(1-19)22-9/h2-4,6,9,19-20H,1H2,(H3,11,14,15,21)