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

Systemtic Name: 2-azanyl-8-bromanyl-9-[(1-oxidanyl-3-pentoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[[1-(hydroxymethyl)-2-pentoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[(1-hydroxy-3-pentoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[(1-hydroxy-3-pentoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(amoxymethyl)-2-hydroxy-ethoxy]methyl]-8-bromo-3H-purin-6-one Formula: C14H22BrN5O4 MolecularWeight: 404.25958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrN5O4/c1-2-3-4-5-23-7-9(6-21)24-8-20-11-10(17-13(20)15)12(22)19-14(16)18-11/h9,21H,2-8H2,1H3,(H3,16,18,19,22)