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

Systemtic Name: [(2E)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methyl ethanoate Openeye Name: [(2E)-2-[(6-aminopurin-9-yl)methylene]-1-(hydroxymethyl)cyclopropyl]methyl acetate CAS Name: acetic acid [(2E)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methyl ester IUPAC Name: [(2E)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methyl acetate Traditional Name: acetic acid [(2E)-2-(adenin-9-ylmethylene)-1-methylol-cyclopropyl]methyl ester Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CC1=CN2C=NC3=C2N=CN=C3N)CO

Isomeric SMILES

CC(=O)OCC\1(C/C1=C\N2C=NC3=C2N=CN=C3N)CO

InChI

InChI=1S/C13H15N5O3/c1-8(20)21-5-13(4-19)2-9(13)3-18-7-17-10-11(14)15-6-16-12(10)18/h3,6-7,19H,2,4-5H2,1H3,(H2,14,15,16)/b9-3+