[5-(6-aminopurin-9-yl)-3-bromanyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-bromanyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [5-(6-aminopurin-9-yl)-3-bromo-4-hydroxy-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [5-(6-aminopurin-9-yl)-3-bromo-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-bromo-4-hydroxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid (5-adenin-9-yl-3-bromo-4-hydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C12H14BrN5O4 MolecularWeight: 372.17466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)Br

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)Br

InChI

InChI=1S/C12H14BrN5O4/c1-5(19)21-2-6-7(13)9(20)12(22-6)18-4-17-8-10(14)15-3-16-11(8)18/h3-4,6-7,9,12,20H,2H2,1H3,(H2,14,15,16)