tert-butyl (2S,3S,5R)-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-oxidanyl-oxolane-2-carboxylate

Systemtic Name: tert-butyl (2S,3S,5R)-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]-3-oxidanyl-oxolane-2-carboxylate Openeye Name: tert-butyl (2S,3S,5R)-3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-2-carboxylate CAS Name: (2S,3S,5R)-3-hydroxy-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-2-oxolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,5R)-3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolane-2-carboxylate Traditional Name: (2S,3S,5R)-3-hydroxy-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-2-carboxylic acid tert-butyl ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C18H25N5O6/c1-8(2)14(25)21-17-20-13-11(15(26)22-17)19-7-23(13)10-6-9(24)12(28-10)16(27)29-18(3,4)5/h7-10,12,24H,6H2,1-5H3,(H2,20,21,22,25,26)/t9-,10+,12-/m0/s1