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2-[[9-(5-chloranyl-2-methyl-pentyl)purin-6-yl]amino]benzoic acid

2-[[9-(5-chloranyl-2-methyl-pentyl)purin-6-yl]amino]benzoic acid

Systemtic Name:2-[[9-(5-chloranyl-2-methyl-pentyl)purin-6-yl]amino]benzoic acid
Openeye Name:2-[[9-(5-chloro-2-methyl-pentyl)purin-6-yl]amino]benzoic acid
CAS Name:2-[[9-(5-chloro-2-methylpentyl)-6-purinyl]amino]benzoic acid
IUPAC Name:2-[[9-(5-chloro-2-methylpentyl)purin-6-yl]amino]benzoic acid
Traditional Name:2-[[9-(5-chloro-2-methyl-pentyl)purin-6-yl]amino]benzoic acid
Formula: C18H20ClN5O2
MolecularWeight: 373.8367
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H20ClN5O2/c1-12(5-4-8-19)9-24-11-22-15-16(20-10-21-17(15)24)23-14-7-3-2-6-13(14)18(25)26/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,25,26)(H,20,21,23)


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