methyl (2S,3S,5R)-5-(2-azanylpurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate

Systemtic Name: methyl (2S,3S,5R)-5-(2-azanylpurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate Openeye Name: methyl (2S,3S,5R)-5-(2-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-carboxylate CAS Name: (2S,3S,5R)-5-(2-amino-9-purinyl)-2-(hydroxymethyl)-3-oxolanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5R)-5-(2-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylate Traditional Name: (2S,3S,5R)-5-(2-aminopurin-9-yl)-2-methylol-tetrahydrofuran-3-carboxylic acid methyl ester Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4/c1-20-11(19)6-2-9(21-8(6)4-18)17-5-15-7-3-14-12(13)16-10(7)17/h3,5-6,8-9,18H,2,4H2,1H3,(H2,13,14,16)/t6-,8+,9+/m0/s1