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

Systemtic Name: 2-azanyl-9-[(1-butoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(butoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-butoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-butoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(butoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N5O4/c1-2-3-4-21-6-9(5-19)22-8-18-7-15-10-11(18)16-13(14)17-12(10)20/h7,9,19H,2-6,8H2,1H3,(H3,14,16,17,20)