[(1R,2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methyl ethanoate

Systemtic Name: [(1R,2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methyl ethanoate Openeye Name: [(1R,2E)-2-[(6-aminopurin-9-yl)methylene]cyclopropyl]methyl acetate CAS Name: acetic acid [(1R,2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methyl ester IUPAC Name: [(1R,2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methyl acetate Traditional Name: acetic acid [(1R,2E)-2-(adenin-9-ylmethylene)cyclopropyl]methyl ester Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC1=CN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(=O)OC[C@@H]\1C/C1=C\N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C12H13N5O2/c1-7(18)19-4-9-2-8(9)3-17-6-16-10-11(13)14-5-15-12(10)17/h3,5-6,9H,2,4H2,1H3,(H2,13,14,15)/b8-3+/t9-/m0/s1