[(2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-oxolan-2-yl]methyl 2-methylpropanoate

Systemtic Name: [(2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-oxolan-2-yl]methyl 2-methylpropanoate Openeye Name: [(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azidooxolan-2-yl]methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2S,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-azido-tetrahydrofuran-2-yl]methyl ester Formula: C14H18N8O4 MolecularWeight: 362.34392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)N=[N+]=[N-]

Isomeric SMILES

CC(C)C(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)N=[N+]=[N-]

InChI

InChI=1S/C14H18N8O4/c1-6(2)13(24)25-4-8-7(20-21-16)3-9(26-8)22-5-17-10-11(22)18-14(15)19-12(10)23/h5-9H,3-4H2,1-2H3,(H3,15,18,19,23)/t7-,8+,9+/m0/s1