2-azanyl-9-[[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[3-hydroxy-2-(hydroxymethyl)-2-methyl-propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3-hydroxy-2-methyl-2-methylol-propoxy)methyl]-3H-purin-6-one Formula: C11H17N5O4 MolecularWeight: 283.28378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(CO)(CO)COCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C11H17N5O4/c1-11(2-17,3-18)4-20-6-16-5-13-7-8(16)14-10(12)15-9(7)19/h5,17-18H,2-4,6H2,1H3,(H3,12,14,15,19)