N-[3-(dimethylamino)-2,2-dimethyl-propyl]-3-[5-(3-oxidanylidenepropyl)-5,9-dihydro-1H-[1,2,4]triazolo[3,4-f]purin-8-yl]-4-propoxy-benzenesulfonamide

Systemtic Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-3-[5-(3-oxidanylidenepropyl)-5,9-dihydro-1H-[1,2,4]triazolo[3,4-f]purin-8-yl]-4-propoxy-benzenesulfonamide Openeye Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-3-[5-(3-oxopropyl)-5,9-dihydro-1H-[1,2,4]triazolo[3,4-f]purin-8-yl]-4-propoxy-benzenesulfonamide CAS Name: N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(3-oxopropyl)-5,9-dihydro-1H-[1,2,4]triazolo[3,4-f]purin-8-yl]-4-propoxybenzenesulfonamide IUPAC Name: N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(3-oxopropyl)-5,9-dihydro-1H-[1,2,4]triazolo[3,4-f]purin-8-yl]-4-propoxybenzenesulfonamide Traditional Name: N-[3-(dimethylamino)-2,2-dimethyl-propyl]-3-[5-(3-ketopropyl)-5,9-dihydro-1H-[1,2,4]triazolo[3,4-f]purin-8-yl]-4-propoxy-benzenesulfonamide Formula: C25H36N8O4S MolecularWeight: 544.66954

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C)(C)CN(C)C)C2=NC3=NC(N4C=NNC4=C3N2)CCC=O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C)(C)CN(C)C)C2=NC3=NC(N4C=NNC4=C3N2)CCC=O

InChI

InChI=1S/C25H36N8O4S/c1-6-12-37-19-10-9-17(38(35,36)27-14-25(2,3)15-32(4)5)13-18(19)22-29-21-23(30-22)28-20(8-7-11-34)33-16-26-31-24(21)33/h9-11,13,16,20,27,31H,6-8,12,14-15H2,1-5H3,(H,28,29,30)