3-[6-[(3-methyl-4-oxidanyl-butyl)amino]purin-9-yl]propanoic acid

Systemtic Name: 3-[6-[(3-methyl-4-oxidanyl-butyl)amino]purin-9-yl]propanoic acid Openeye Name: 3-[6-[(4-hydroxy-3-methyl-butyl)amino]purin-9-yl]propanoic acid CAS Name: 3-[6-[(4-hydroxy-3-methylbutyl)amino]-9-purinyl]propanoic acid IUPAC Name: 3-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]propanoic acid Traditional Name: 3-[6-[(4-hydroxy-3-methyl-butyl)amino]purin-9-yl]propionic acid Formula: C13H19N5O3 MolecularWeight: 293.32166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O3/c1-9(6-19)2-4-14-12-11-13(16-7-15-12)18(8-17-11)5-3-10(20)21/h7-9,19H,2-6H2,1H3,(H,20,21)(H,14,15,16)