2-[[9-[1,3-bis(oxidanyl)propan-2-yl]purin-6-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[9-[1,3-bis(oxidanyl)propan-2-yl]purin-6-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[9-[2-hydroxy-1-(hydroxymethyl)ethyl]purin-6-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[9-(1,3-dihydroxypropan-2-yl)-6-purinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[9-(1,3-dihydroxypropan-2-yl)purin-6-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[9-(2-hydroxy-1-methylol-ethyl)purin-6-yl]amino]-4-methyl-valeric acid Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC=NC2=C1N=CN2C(CO)CO

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=NC=NC2=C1N=CN2C(CO)CO

InChI

InChI=1S/C14H21N5O4/c1-8(2)3-10(14(22)23)18-12-11-13(16-6-15-12)19(7-17-11)9(4-20)5-21/h6-10,20-21H,3-5H2,1-2H3,(H,22,23)(H,15,16,18)