N-methyl-N-(1-methylazetidin-3-yl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide

Systemtic Name: N-methyl-N-(1-methylazetidin-3-yl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Openeye Name: N-methyl-N-(1-methylazetidin-3-yl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide CAS Name: N-methyl-N-(1-methyl-3-azetidinyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-methyl-N-(1-methylazetidin-3-yl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Traditional Name: N-methyl-N-(1-methylazetidin-3-yl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)N(C)C2CN(C2)C)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)N(C)C2CN(C2)C)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C19H24N6O3S/c1-4-7-28-14-5-6-17(29(26,27)25(3)13-10-24(2)11-13)15(8-14)18-22-16-9-20-12-21-19(16)23-18/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,20,21,22,23)