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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O2/c1-9(16)6-21-8-19-12-13(17-7-18-14(12)21)20-11-5-3-2-4-10(11)15(22)23/h2-5,7-9H,6H2,1H3,(H,22,23)(H,17,18,20)