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

Systemtic Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(2-thenyl)benzenesulfonamide Formula: C23H26N6O3S2 MolecularWeight: 498.62094

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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=CS5

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CS5

InChI

InChI=1S/C23H26N6O3S2/c30-34(31,26-13-18-7-4-12-33-18)19-10-8-17(9-11-19)27-23-28-21-20(24-15-25-21)22(29-23)32-14-16-5-2-1-3-6-16/h4,7-12,15-16,26H,1-3,5-6,13-14H2,(H2,24,25,27,28,29)