2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one; 2-azanyl-3-methyl-butanoic acid

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one; 2-azanyl-3-methyl-butanoic acid Openeye Name: 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one; 2-amino-3-methyl-butanoic acid CAS Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one; 2-amino-3-methylbutanoic acid IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one; 2-amino-3-methylbutanoic acid Traditional Name: 2-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one; 2-amino-3-methyl-butyric acid Formula: C14H24N6O6 MolecularWeight: 372.37696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

Isomeric SMILES

CC(C)C(C(=O)O)N.C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4.C5H11NO2/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;1-3(2)4(6)5(7)8/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);3-4H,6H2,1-2H3,(H,7,8)