tert-butyl 3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoate

Systemtic Name: tert-butyl 3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoate Openeye Name: tert-butyl 3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanoate CAS Name: 3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]propanoate Traditional Name: 3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propionic acid tert-butyl ester Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2CCC(=O)OC(C)(C)C)CO

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1N=CN2CCC(=O)OC(C)(C)C)/CO

InChI

InChI=1S/C17H25N5O3/c1-12(9-23)5-7-18-15-14-16(20-10-19-15)22(11-21-14)8-6-13(24)25-17(2,3)4/h5,10-11,23H,6-9H2,1-4H3,(H,18,19,20)/b12-5+