sodium 2-[[9-(2-chloranylpropyl)purin-6-yl]amino]benzoate

Systemtic Name: sodium 2-[[9-(2-chloranylpropyl)purin-6-yl]amino]benzoate Openeye Name: sodium 2-[[9-(2-chloropropyl)purin-6-yl]amino]benzoate CAS Name: sodium 2-[[9-(2-chloropropyl)-6-purinyl]amino]benzoate IUPAC Name: sodium 2-[[9-(2-chloropropyl)purin-6-yl]amino]benzoate Traditional Name: sodium 2-[[9-(2-chloropropyl)purin-6-yl]amino]benzoate Formula: C15H13ClN5NaO2 MolecularWeight: 353.73879

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC(CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C15H14ClN5O2.Na/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);/q;+1/p-1