3-(5-oxidanylidene-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-benzenesulfonamide

Systemtic Name: 3-(5-oxidanylidene-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-benzenesulfonamide Openeye Name: 3-(5-oxo-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-benzenesulfonamide CAS Name: 3-(5-oxo-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxybenzenesulfonamide IUPAC Name: 3-(5-oxo-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxybenzenesulfonamide Traditional Name: 3-(5-keto-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-benzenesulfonamide Formula: C18H21N7O4S MolecularWeight: 431.46884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=C(C=CC(=C4)S(=O)(=O)N)OCCC

Isomeric SMILES

CCCN1C2=NC(=NC2=C3NN=CN3C1=O)C4=C(C=CC(=C4)S(=O)(=O)N)OCCC

InChI

InChI=1S/C18H21N7O4S/c1-3-7-24-16-14(17-23-20-10-25(17)18(24)26)21-15(22-16)12-9-11(30(19,27)28)5-6-13(12)29-8-4-2/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H2,19,27,28)