4-[2-(6-chloranylpurin-9-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(6-chloranylpurin-9-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(6-chloro-9-purinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(6-chloropurin-9-yl)acetyl]amino]benzoic acid Formula: C14H10ClN5O3 MolecularWeight: 331.7139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C14H10ClN5O3/c15-12-11-13(17-6-16-12)20(7-18-11)5-10(21)19-9-3-1-8(2-4-9)14(22)23/h1-4,6-7H,5H2,(H,19,21)(H,22,23)