4-[[(2-chloranyl-7H-purin-6-yl)-methyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-chloranyl-7H-purin-6-yl)-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-chloro-7H-purin-6-yl)-methyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-chloro-7H-purin-6-yl)-methylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-chloro-7H-purin-6-yl)-methylamino]methyl]benzoic acid Traditional Name: 4-[[(2-chloro-7H-purin-6-yl)-methyl-amino]methyl]benzoic acid Formula: C14H12ClN5O2 MolecularWeight: 317.73038

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H12ClN5O2/c1-20(6-8-2-4-9(5-3-8)13(21)22)12-10-11(17-7-16-10)18-14(15)19-12/h2-5,7H,6H2,1H3,(H,21,22)(H,16,17,18,19)