N-(3,5-dimethoxyphenyl)-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]-phenyl-amino]benzenesulfonamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]-phenyl-amino]benzenesulfonamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]anilino)benzenesulfonamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]anilino)benzenesulfonamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]anilino)benzenesulfonamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-(N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]anilino)benzenesulfonamide Formula: C33H37N7O5S MolecularWeight: 643.75578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N(C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)NC5=CC(=CC(=C5)OC)OC)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N(C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)NC5=CC(=CC(=C5)OC)OC)NC6CCC(CC6)O

InChI

InChI=1S/C33H37N7O5S/c1-4-39-21-34-30-31(39)36-33(35-22-10-14-26(41)15-11-22)37-32(30)40(24-8-6-5-7-9-24)25-12-16-29(17-13-25)46(42,43)38-23-18-27(44-2)20-28(19-23)45-3/h5-9,12-13,16-22,26,38,41H,4,10-11,14-15H2,1-3H3,(H,35,36,37)