2,8-bis(azanyl)-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one

Systemtic Name: 2,8-bis(azanyl)-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one IUPAC Name: 2,8-diamino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one Traditional Name: 2,8-diamino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one Formula: C9H14N6O4 MolecularWeight: 270.24526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1N)O

Isomeric SMILES

C(C(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1N)O

InChI

InChI=1S/C9H14N6O4/c10-8-13-6-5(7(18)14-8)12-9(11)15(6)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H2,11,12)(H3,10,13,14,18)