N-(2-dimethylaminoethyl)-3-(5-oxidanylidene-3-propyl-1,9-dihydro-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-(5-oxidanylidene-3-propyl-1,9-dihydro-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-(5-oxo-3-propyl-1,9-dihydro-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-(5-oxo-3-propyl-1,9-dihydro-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxybenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-(5-oxo-3-propyl-1,9-dihydro-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxybenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-(5-keto-3-propyl-1,9-dihydro-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-benzenesulfonamide Formula: C22H30N8O4S MolecularWeight: 502.5898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC2=C3C(=NC(=O)N12)N=C(N3)C4=C(C=CC(=C4)S(=O)(=O)NCCN(C)C)OCCC

Isomeric SMILES

CCCC1=NNC2=C3C(=NC(=O)N12)N=C(N3)C4=C(C=CC(=C4)S(=O)(=O)NCCN(C)C)OCCC

InChI

InChI=1S/C22H30N8O4S/c1-5-7-17-27-28-21-18-20(26-22(31)30(17)21)25-19(24-18)15-13-14(8-9-16(15)34-12-6-2)35(32,33)23-10-11-29(3)4/h8-9,13,23,28H,5-7,10-12H2,1-4H3,(H,24,25,26,31)