2-azanyl-8-bromanyl-9-[(1-hexoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-bromanyl-9-[(1-hexoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[[1-(hexoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[(1-hexoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[(1-hexoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[[1-(hexoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C15H24BrN5O4 MolecularWeight: 418.28616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1Br

Isomeric SMILES

CCCCCCOCC(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1Br

InChI

InChI=1S/C15H24BrN5O4/c1-2-3-4-5-6-24-8-10(7-22)25-9-21-12-11(18-14(21)16)13(23)20-15(17)19-12/h10,22H,2-9H2,1H3,(H3,17,19,20,23)