[(2R,3R,4R,5R)-2-(hydroxymethyl)-4-methyl-5-[6-(methylamino)purin-9-yl]-4-oxidanyl-oxolan-3-yl] 2-azanyl-3-methyl-butanoate

Systemtic Name: [(2R,3R,4R,5R)-2-(hydroxymethyl)-4-methyl-5-[6-(methylamino)purin-9-yl]-4-oxidanyl-oxolan-3-yl] 2-azanyl-3-methyl-butanoate Openeye Name: [(2R,3R,4R,5R)-4-hydroxy-2-(hydroxymethyl)-4-methyl-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-3-yl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [(2R,3R,4R,5R)-4-hydroxy-2-(hydroxymethyl)-4-methyl-5-[6-(methylamino)-9-purinyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-4-hydroxy-2-(hydroxymethyl)-4-methyl-5-[6-(methylamino)purin-9-yl]oxolan-3-yl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [(2R,3R,4R,5R)-4-hydroxy-4-methyl-5-[6-(methylamino)purin-9-yl]-2-methylol-tetrahydrofuran-3-yl] ester Formula: C17H26N6O5 MolecularWeight: 394.42554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1C(OC(C1(C)O)N2C=NC3=C2N=CN=C3NC)CO)N

Isomeric SMILES

CC(C)C(C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(C)O)N2C=NC3=C2N=CN=C3NC)CO)N

InChI

InChI=1S/C17H26N6O5/c1-8(2)10(18)15(25)28-12-9(5-24)27-16(17(12,3)26)23-7-22-11-13(19-4)20-6-21-14(11)23/h6-10,12,16,24,26H,5,18H2,1-4H3,(H,19,20,21)/t9-,10?,12-,16-,17-/m1/s1