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

Systemtic Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-1-deuterio-N-(3-phenylpropyl)methanesulfonamide Openeye Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-1-deuterio-N-(3-phenylpropyl)methanesulfonamide CAS Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-1-deuterio-N-(3-phenylpropyl)methanesulfonamide IUPAC Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-1-deuterio-N-(3-phenylpropyl)methanesulfonamide Traditional Name: 1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]-1-deuterio-N-(3-phenylpropyl)methanesulfonamide Formula: C28H34N6O3S MolecularWeight: 535.679122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=CC(=C4)CS(=O)(=O)NCCCC5=CC=CC=C5

Isomeric SMILES

[2H]C(C1=CC(=CC=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3)S(=O)(=O)NCCCC5=CC=CC=C5

InChI

InChI=1S/C28H34N6O3S/c35-38(36,31-16-8-14-21-9-3-1-4-10-21)19-23-13-7-15-24(17-23)32-28-33-26-25(29-20-30-26)27(34-28)37-18-22-11-5-2-6-12-22/h1,3-4,7,9-10,13,15,17,20,22,31H,2,5-6,8,11-12,14,16,18-19H2,(H2,29,30,32,33,34)/i19D