2-[[9-(3-chloranylpropyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(3-chloranylpropyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(3-chloropropyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(3-chloropropyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(3-chloropropyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(3-chloropropyl)purin-6-yl]amino]benzoic acid Formula: C15H14ClN5O2 MolecularWeight: 331.75696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCl

InChI

InChI=1S/C15H14ClN5O2/c16-6-3-7-21-9-19-12-13(17-8-18-14(12)21)20-11-5-2-1-4-10(11)15(22)23/h1-2,4-5,8-9H,3,6-7H2,(H,22,23)(H,17,18,20)