3-[2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylethylamino]propan-1-ol

Systemtic Name: 3-[2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylethylamino]propan-1-ol Openeye Name: 3-[2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylethylamino]propan-1-ol CAS Name: 3-[2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylethylamino]-1-propanol IUPAC Name: 3-[2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylethylamino]propan-1-ol Traditional Name: 3-[2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylethylamino]propan-1-ol Formula: C23H32N6O4S MolecularWeight: 488.60298

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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)CCNCCCO

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O4S/c30-13-4-11-24-12-14-34(31,32)19-9-7-18(8-10-19)27-23-28-21-20(25-16-26-21)22(29-23)33-15-17-5-2-1-3-6-17/h7-10,16-17,24,30H,1-6,11-15H2,(H2,25,26,27,28,29)