3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoic acid

Systemtic Name: 3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanoic acid Openeye Name: 3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanoic acid CAS Name: 3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]propanoic acid IUPAC Name: 3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]propanoic acid Traditional Name: 3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propionic acid Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O3/c1-9(6-19)2-4-14-12-11-13(16-7-15-12)18(8-17-11)5-3-10(20)21/h2,7-8,19H,3-6H2,1H3,(H,20,21)(H,14,15,16)/b9-2+