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

Systemtic Name: 2-azanyl-8-bromanyl-9-[(1-butoxy-3-oxidanyl-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[[1-(butoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[(1-butoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[(1-butoxy-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[[1-(butoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one Formula: C13H20BrN5O4 MolecularWeight: 390.233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrN5O4/c1-2-3-4-22-6-8(5-20)23-7-19-10-9(16-12(19)14)11(21)18-13(15)17-10/h8,20H,2-7H2,1H3,(H3,15,17,18,21)