2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-but-2-enyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-(hydroxymethyl)-4-oxidanyl-but-2-enyl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-3H-purin-6-one Traditional Name: 2-amino-9-(4-hydroxy-3-methylol-but-2-enyl)-3H-purin-6-one Formula: C10H13N5O3 MolecularWeight: 251.24192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h1,5,16-17H,2-4H2,(H3,11,13,14,18)