2-[[9-(3-methyl-1-oxidanyl-butan-2-yl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(3-methyl-1-oxidanyl-butan-2-yl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-[1-(hydroxymethyl)-2-methyl-propyl]purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(1-hydroxy-3-methylbutan-2-yl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(1-hydroxy-3-methylbutan-2-yl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(2-methyl-1-methylol-propyl)purin-6-yl]amino]benzoic acid Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)N1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)C(CO)N1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H19N5O3/c1-10(2)13(7-23)22-9-20-14-15(18-8-19-16(14)22)21-12-6-4-3-5-11(12)17(24)25/h3-6,8-10,13,23H,7H2,1-2H3,(H,24,25)(H,18,19,21)