2-[[9-(4-chloranyl-2-methyl-butyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(4-chloranyl-2-methyl-butyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(4-chloro-2-methyl-butyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(4-chloro-2-methylbutyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(4-chloro-2-methylbutyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(4-chloro-2-methyl-butyl)purin-6-yl]amino]benzoic acid Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCl)CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(CCCl)CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H18ClN5O2/c1-11(6-7-18)8-23-10-21-14-15(19-9-20-16(14)23)22-13-5-3-2-4-12(13)17(24)25/h2-5,9-11H,6-8H2,1H3,(H,24,25)(H,19,20,22)