2-azanyl-6-[6-(2-methylpropanoylamino)purin-9-yl]hexanoic acid

Systemtic Name: 2-azanyl-6-[6-(2-methylpropanoylamino)purin-9-yl]hexanoic acid Openeye Name: 2-amino-6-[6-(2-methylpropanoylamino)purin-9-yl]hexanoic acid CAS Name: 2-amino-6-[6-[(2-methyl-1-oxopropyl)amino]-9-purinyl]hexanoic acid IUPAC Name: 2-amino-6-[6-(2-methylpropanoylamino)purin-9-yl]hexanoic acid Traditional Name: 2-amino-6-[6-(isobutyrylamino)purin-9-yl]hexanoic acid Formula: C15H22N6O3 MolecularWeight: 334.37358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC=NC2=C1N=CN2CCCCC(C(=O)O)N

Isomeric SMILES

CC(C)C(=O)NC1=NC=NC2=C1N=CN2CCCCC(C(=O)O)N

InChI

InChI=1S/C15H22N6O3/c1-9(2)14(22)20-12-11-13(18-7-17-12)21(8-19-11)6-4-3-5-10(16)15(23)24/h7-10H,3-6,16H2,1-2H3,(H,23,24)(H,17,18,20,22)