1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-N-(4-methoxyphenyl)methanesulfonamide

Systemtic Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-N-(4-methoxyphenyl)methanesulfonamide Openeye Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-N-(4-methoxyphenyl)methanesulfonamide CAS Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-N-(4-methoxyphenyl)methanesulfonamide IUPAC Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-N-(4-methoxyphenyl)methanesulfonamide Traditional Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-N-(4-methoxyphenyl)methanesulfonamide Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)CC2=CC(=CC=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)CC2=CC(=CC=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4

InChI

InChI=1S/C26H30N6O4S/c1-35-22-12-10-20(11-13-22)32-37(33,34)16-19-8-5-9-21(14-19)29-26-30-24-23(27-17-28-24)25(31-26)36-15-18-6-3-2-4-7-18/h5,8-14,17-18,32H,2-4,6-7,15-16H2,1H3,(H2,27,28,29,30,31)