2-[6-[(2-aminophenyl)methyl]-2-(2-methylpropanoyl)purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-[(2-aminophenyl)methyl]-2-(2-methylpropanoyl)purin-9-yl]ethanoic acid Openeye Name: 2-[6-[(2-aminophenyl)methyl]-2-(2-methylpropanoyl)purin-9-yl]acetic acid CAS Name: 2-[6-[(2-aminophenyl)methyl]-2-(2-methyl-1-oxopropyl)-9-purinyl]acetic acid IUPAC Name: 2-[6-[(2-aminophenyl)methyl]-2-(2-methylpropanoyl)purin-9-yl]acetic acid Traditional Name: 2-[6-(2-aminobenzyl)-2-isobutyryl-purin-9-yl]acetic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=NC(=C2C(=N1)N(C=N2)CC(=O)O)CC3=CC=CC=C3N

Isomeric SMILES

CC(C)C(=O)C1=NC(=C2C(=N1)N(C=N2)CC(=O)O)CC3=CC=CC=C3N

InChI

InChI=1S/C18H19N5O3/c1-10(2)16(26)17-21-13(7-11-5-3-4-6-12(11)19)15-18(22-17)23(9-20-15)8-14(24)25/h3-6,9-10H,7-8,19H2,1-2H3,(H,24,25)