2-[[9-(4-chloranylbutyl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-[[9-(4-chloranylbutyl)purin-6-yl]amino]benzoic acid Openeye Name: 2-[[9-(4-chlorobutyl)purin-6-yl]amino]benzoic acid CAS Name: 2-[[9-(4-chlorobutyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-[[9-(4-chlorobutyl)purin-6-yl]amino]benzoic acid Traditional Name: 2-[[9-(4-chlorobutyl)purin-6-yl]amino]benzoic acid Formula: C16H16ClN5O2 MolecularWeight: 345.78354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCCl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2N=CN3CCCCCl

InChI

InChI=1S/C16H16ClN5O2/c17-7-3-4-8-22-10-20-13-14(18-9-19-15(13)22)21-12-6-2-1-5-11(12)16(23)24/h1-2,5-6,9-10H,3-4,7-8H2,(H,23,24)(H,18,19,21)