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

Systemtic Name: 2-azanyl-8-bromanyl-9-[(1-octoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[[1-(hydroxymethyl)-2-octoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[(1-hydroxy-3-octoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[(1-hydroxy-3-octoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[(1-methylol-2-octoxy-ethoxy)methyl]-3H-purin-6-one Formula: C17H28BrN5O4 MolecularWeight: 446.33932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28BrN5O4/c1-2-3-4-5-6-7-8-26-10-12(9-24)27-11-23-14-13(20-16(23)18)15(25)22-17(19)21-14/h12,24H,2-11H2,1H3,(H3,19,21,22,25)