2-[[9-(2-chloranylpentyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(2-chloranylpentyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(2-chloropentyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(2-chloropentyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(2-chloropentyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(2-chloropentyl)purin-6-yl]amino]benzoic acid Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CCCC(CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)Cl

InChI

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