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

Systemtic Name: 2-azanyl-9-[[1-oxidanyl-3-oxidanylidene-2-(phenylmethoxymethyl)butan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-1-(hydroxymethyl)-2-oxo-propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-hydroxy-3-oxo-2-(phenylmethoxymethyl)butan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-hydroxy-3-oxo-2-(phenylmethoxymethyl)butan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-keto-1-methylol-propoxy]methyl]-3H-purin-6-one Formula: C18H21N5O5 MolecularWeight: 387.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CO)(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(=O)C(CO)(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C18H21N5O5/c1-12(25)18(8-24,9-27-7-13-5-3-2-4-6-13)28-11-23-10-20-14-15(23)21-17(19)22-16(14)26/h2-6,10,24H,7-9,11H2,1H3,(H3,19,21,22,26)