3-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenyl-2H-imidazole-1-sulfonamide

Systemtic Name: 3-[3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenyl-2H-imidazole-1-sulfonamide Openeye Name: 3-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenyl-2H-imidazole-1-sulfonamide CAS Name: 3-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]-N-phenyl-2H-imidazole-1-sulfonamide IUPAC Name: 3-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenyl-2H-imidazole-1-sulfonamide Traditional Name: 3-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenyl-4-imidazoline-1-sulfonamide Formula: C28H33N9O3S MolecularWeight: 575.68512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)N4CN(C=C4)S(=O)(=O)NC5=CC=CC=C5)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)N4CN(C=C4)S(=O)(=O)NC5=CC=CC=C5)NC6CCC(CC6)O

InChI

InChI=1S/C28H33N9O3S/c1-2-35-18-29-25-26(32-28(33-27(25)35)31-20-11-13-24(38)14-12-20)30-22-9-6-10-23(17-22)36-15-16-37(19-36)41(39,40)34-21-7-4-3-5-8-21/h3-10,15-18,20,24,34,38H,2,11-14,19H2,1H3,(H2,30,31,32,33)