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

Systemtic Name: 2-azanyl-9-[(1-octoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(hydroxymethyl)-2-octoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-hydroxy-3-octoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-hydroxy-3-octoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1-methylol-2-octoxy-ethoxy)methyl]-3H-purin-6-one Formula: C17H29N5O4 MolecularWeight: 367.44326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N5O4/c1-2-3-4-5-6-7-8-25-10-13(9-23)26-12-22-11-19-14-15(22)20-17(18)21-16(14)24/h11,13,23H,2-10,12H2,1H3,(H3,18,20,21,24)