4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3,5-dimethylpyridin-4-yl)benzenesulfonamide

Systemtic Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3,5-dimethylpyridin-4-yl)benzenesulfonamide Openeye Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3,5-dimethyl-4-pyridyl)benzenesulfonamide CAS Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3,5-dimethyl-4-pyridinyl)benzenesulfonamide IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3,5-dimethylpyridin-4-yl)benzenesulfonamide Traditional Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3,5-dimethyl-4-pyridyl)benzenesulfonamide Formula: C25H29N7O3S MolecularWeight: 507.60786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4)C

Isomeric SMILES

CC1=CN=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4)C

InChI

InChI=1S/C25H29N7O3S/c1-16-12-26-13-17(2)21(16)32-36(33,34)20-10-8-19(9-11-20)29-25-30-23-22(27-15-28-23)24(31-25)35-14-18-6-4-3-5-7-18/h8-13,15,18H,3-7,14H2,1-2H3,(H,26,32)(H2,27,28,29,30,31)