4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide Traditional Name: N-benzyl-4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O3S/c32-35(33,28-15-18-7-3-1-4-8-18)21-13-11-20(12-14-21)29-25-30-23-22(26-17-27-23)24(31-25)34-16-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,17,19,28H,2,5-6,9-10,15-16H2,(H2,26,27,29,30,31)