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

Systemtic Name: 2-azanyl-9-[(3S)-3,4-bis(oxidanyl)butyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(3S)-3,4-dihydroxybutyl]-3H-purin-6-one CAS Name: 2-amino-9-[(3S)-3,4-dihydroxybutyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(3S)-3,4-dihydroxybutyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3S)-3,4-dihydroxybutyl]-3H-purin-6-one Formula: C9H13N5O3 MolecularWeight: 239.23122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC[C@@H](CO)O)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O3/c10-9-12-7-6(8(17)13-9)11-4-14(7)2-1-5(16)3-15/h4-5,15-16H,1-3H2,(H3,10,12,13,17)/t5-/m0/s1