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

Systemtic Name: 3-[(2-chloranyl-9-ethyl-purin-6-yl)amino]benzoic acid Openeye Name: 3-[(2-chloro-9-ethyl-purin-6-yl)amino]benzoic acid CAS Name: 3-[(2-chloro-9-ethyl-6-purinyl)amino]benzoic acid IUPAC Name: 3-[(2-chloro-9-ethylpurin-6-yl)amino]benzoic acid Traditional Name: 3-[(2-chloro-9-ethyl-purin-6-yl)amino]benzoic acid Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C14H12ClN5O2/c1-2-20-7-16-10-11(18-14(15)19-12(10)20)17-9-5-3-4-8(6-9)13(21)22/h3-7H,2H2,1H3,(H,21,22)(H,17,18,19)