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

Systemtic Name: 2-azanyl-9-[[3-oxidanylidene-1-phenylmethoxy-2-(phenylmethoxymethyl)butan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1,1-bis(benzyloxymethyl)-2-oxo-propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[3-oxo-1-phenylmethoxy-2-(phenylmethoxymethyl)butan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[3-oxo-1-phenylmethoxy-2-(phenylmethoxymethyl)butan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1,1-bis(benzoxymethyl)-2-keto-propoxy]methyl]-3H-purin-6-one Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(COCC1=CC=CC=C1)(COCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

CC(=O)C(COCC1=CC=CC=C1)(COCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C25H27N5O5/c1-18(31)25(14-33-12-19-8-4-2-5-9-19,15-34-13-20-10-6-3-7-11-20)35-17-30-16-27-21-22(30)28-24(26)29-23(21)32/h2-11,16H,12-15,17H2,1H3,(H3,26,28,29,32)