2-azanyl-9-[(2S,3R)-2,3,4-tris(oxidanyl)butyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2S,3R)-2,3,4-tris(oxidanyl)butyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2S,3R)-2,3,4-trihydroxybutyl]-3H-purin-6-one CAS Name: 2-amino-9-[(2S,3R)-2,3,4-trihydroxybutyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2S,3R)-2,3,4-trihydroxybutyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2S,3R)-2,3,4-trihydroxybutyl]-3H-purin-6-one Formula: C9H13N5O4 MolecularWeight: 255.23062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(C(CO)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C[C@@H]([C@@H](CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4/c10-9-12-7-6(8(18)13-9)11-3-14(7)1-4(16)5(17)2-15/h3-5,15-17H,1-2H2,(H3,10,12,13,18)/t4-,5+/m0/s1