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3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoic acid

3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoic acid

Systemtic Name:3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoic acid
Openeye Name:3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoic acid
CAS Name:3-[6-(3-methylbut-2-enylamino)-9-purinyl]propanoic acid
IUPAC Name:3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoic acid
Traditional Name:3-[6-(3-methylbut-2-enylamino)purin-9-yl]propionic acid
Formula: C13H17N5O2
MolecularWeight: 275.30638
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17N5O2/c1-9(2)3-5-14-12-11-13(16-7-15-12)18(8-17-11)6-4-10(19)20/h3,7-8H,4-6H2,1-2H3,(H,19,20)(H,14,15,16)


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