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

Systemtic Name: 2-azanyl-9-[(1-heptoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(heptoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-heptoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-heptoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(heptoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C16H27N5O4 MolecularWeight: 353.41668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N5O4/c1-2-3-4-5-6-7-24-9-12(8-22)25-11-21-10-18-13-14(21)19-16(17)20-15(13)23/h10,12,22H,2-9,11H2,1H3,(H3,17,19,20,23)