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

Systemtic Name: 3-(5-oxidanylidene-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-(5-oxo-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-(5-oxo-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-(5-oxo-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-4-propoxy-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-(5-keto-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-8-yl)-N-propargyl-4-propoxy-benzenesulfonamide Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O4S/c1-4-9-23-33(30,31)14-7-8-16(32-11-6-3)15(12-14)18-24-17-19(25-18)27(10-5-2)21(29)28-13-22-26-20(17)28/h1,7-8,12-13,23,26H,5-6,9-11H2,2-3H3