4-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-iodanyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-iodanyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-iodo-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-iodo-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-iodopyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-[2-(1H-imidazol-5-yl)ethylamino]-5-iodo-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C15H16IN7O2S MolecularWeight: 485.30271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCC3=CN=CN3)I)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCC3=CN=CN3)I)S(=O)(=O)N

InChI

InChI=1S/C15H16IN7O2S/c16-13-8-20-15(22-10-1-3-12(4-2-10)26(17,24)25)23-14(13)19-6-5-11-7-18-9-21-11/h1-4,7-9H,5-6H2,(H,18,21)(H2,17,24,25)(H2,19,20,22,23)