ethyl (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-bromanyl-cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-bromanyl-cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-bromo-cyclopropanecarboxylate CAS Name: (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-bromo-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[(6-aminopurin-9-yl)methyl]-2-bromocyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-(adenin-9-ylmethyl)-2-bromo-cyclopropanecarboxylic acid ethyl ester Formula: C12H14BrN5O2 MolecularWeight: 340.17586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1(CN2C=NC3=C2N=CN=C3N)Br

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@]1(CN2C=NC3=C2N=CN=C3N)Br

InChI

InChI=1S/C12H14BrN5O2/c1-2-20-11(19)7-3-12(7,13)4-18-6-17-8-9(14)15-5-16-10(8)18/h5-7H,2-4H2,1H3,(H2,14,15,16)/t7-,12+/m0/s1