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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CCC(CN1C=NC2=C1N=CN=C2NC3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C16H16ClN5O2/c1-2-10(17)7-22-9-20-13-14(18-8-19-15(13)22)21-12-6-4-3-5-11(12)16(23)24/h3-6,8-10H,2,7H2,1H3,(H,23,24)(H,18,19,21)