2-oxidanyl-5-[[9-(oxolan-2-yl)purin-6-yl]amino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[[9-(oxolan-2-yl)purin-6-yl]amino]benzoic acid Openeye Name: 2-hydroxy-5-[(9-tetrahydrofuran-2-ylpurin-6-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[9-(2-oxolanyl)-6-purinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[9-(oxolan-2-yl)purin-6-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[9-(tetrahydrofuryl)purin-6-yl]amino]benzoic acid Formula: C16H15N5O4 MolecularWeight: 341.3214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)N2C=NC3=C2N=CN=C3NC4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

C1CC(OC1)N2C=NC3=C2N=CN=C3NC4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C16H15N5O4/c22-11-4-3-9(6-10(11)16(23)24)20-14-13-15(18-7-17-14)21(8-19-13)12-2-1-5-25-12/h3-4,6-8,12,22H,1-2,5H2,(H,23,24)(H,17,18,20)