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

Systemtic Name: 2-[[9-(1-chloranyl-3-methyl-butan-2-yl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-[1-(chloromethyl)-2-methyl-propyl]purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(1-chloro-3-methylbutan-2-yl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(1-chloro-3-methylbutan-2-yl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-[1-(chloromethyl)-2-methyl-propyl]purin-6-yl]amino]benzoic acid Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O2/c1-10(2)13(7-18)23-9-21-14-15(19-8-20-16(14)23)22-12-6-4-3-5-11(12)17(24)25/h3-6,8-10,13H,7H2,1-2H3,(H,24,25)(H,19,20,22)