1-[(2S,3S,5R)-5-(2-azanylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]ethanone

Systemtic Name: 1-[(2S,3S,5R)-5-(2-azanylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]ethanone Openeye Name: 1-[(2S,3S,5R)-5-(2-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]ethanone CAS Name: 1-[(2S,3S,5R)-5-(2-amino-9-purinyl)-2-(hydroxymethyl)-3-oxolanyl]ethanone IUPAC Name: 1-[(2S,3S,5R)-5-(2-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]ethanone Traditional Name: 1-[(2S,3S,5R)-5-(2-aminopurin-9-yl)-2-methylol-tetrahydrofuran-3-yl]ethanone Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(OC1CO)N2C=NC3=CN=C(N=C32)N

Isomeric SMILES

CC(=O)[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=CN=C(N=C32)N

InChI

InChI=1S/C12H15N5O3/c1-6(19)7-2-10(20-9(7)4-18)17-5-15-8-3-14-12(13)16-11(8)17/h3,5,7,9-10,18H,2,4H2,1H3,(H2,13,14,16)/t7-,9-,10-/m1/s1