2-azanyl-9-[[2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[1,1-bis(hydroxymethyl)propoxymethyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-(1,1-dimethylolpropoxymethyl)-3H-purin-6-one Formula: C11H17N5O4 MolecularWeight: 283.28378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCC(CO)(CO)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C11H17N5O4/c1-2-11(3-17,4-18)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)