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

Systemtic Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3-oxidanylpropyl)benzenesulfonamide Openeye Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide CAS Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide Traditional Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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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)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4S/c28-12-4-11-24-32(29,30)17-9-7-16(8-10-17)25-21-26-19-18(22-14-23-19)20(27-21)31-13-15-5-2-1-3-6-15/h7-10,14-15,24,28H,1-6,11-13H2,(H2,22,23,25,26,27)