[(2S)-4-(2-azanylpurin-9-yl)-2-(hydroxymethyl)butyl] ethanoate

Systemtic Name: [(2S)-4-(2-azanylpurin-9-yl)-2-(hydroxymethyl)butyl] ethanoate Openeye Name: [(2S)-4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate CAS Name: acetic acid [(2S)-4-(2-amino-9-purinyl)-2-(hydroxymethyl)butyl] ester IUPAC Name: [(2S)-4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate Traditional Name: acetic acid [(2S)-4-(2-aminopurin-9-yl)-2-methylol-butyl] ester Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)CO

Isomeric SMILES

CC(=O)OC[C@@H](CCN1C=NC2=CN=C(N=C21)N)CO

InChI

InChI=1S/C12H17N5O3/c1-8(19)20-6-9(5-18)2-3-17-7-15-10-4-14-12(13)16-11(10)17/h4,7,9,18H,2-3,5-6H2,1H3,(H2,13,14,16)/t9-/m0/s1