methyl (2R,3S,5S)-5-(2-acetamido-6-oxidanylidene-3H-purin-7-yl)-3-oxidanyl-2-(phenylmethoxymethyl)oxolane-2-carboxylate

Systemtic Name: methyl (2R,3S,5S)-5-(2-acetamido-6-oxidanylidene-3H-purin-7-yl)-3-oxidanyl-2-(phenylmethoxymethyl)oxolane-2-carboxylate Openeye Name: methyl (2R,3S,5S)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-2-(benzyloxymethyl)-3-hydroxy-tetrahydrofuran-2-carboxylate CAS Name: (2R,3S,5S)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-3-hydroxy-2-(phenylmethoxymethyl)-2-oxolanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,5S)-5-(2-acetamido-6-oxo-3H-purin-7-yl)-3-hydroxy-2-(phenylmethoxymethyl)oxolane-2-carboxylate Traditional Name: (2R,3S,5S)-5-(2-acetamido-6-keto-3H-purin-7-yl)-2-(benzoxymethyl)-3-hydroxy-tetrahydrofuran-2-carboxylic acid methyl ester Formula: C21H23N5O7 MolecularWeight: 457.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2C3CC(C(O3)(COCC4=CC=CC=C4)C(=O)OC)O

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2[C@@H]3C[C@@H]([C@](O3)(COCC4=CC=CC=C4)C(=O)OC)O

InChI

InChI=1S/C21H23N5O7/c1-12(27)23-20-24-17-16(18(29)25-20)26(11-22-17)15-8-14(28)21(33-15,19(30)31-2)10-32-9-13-6-4-3-5-7-13/h3-7,11,14-15,28H,8-10H2,1-2H3,(H2,23,24,25,27,29)/t14-,15-,21+/m0/s1