N-methyl-N-(2-morpholin-4-ylethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide

Systemtic Name: N-methyl-N-(2-morpholin-4-ylethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Openeye Name: N-methyl-N-(2-morpholinoethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide CAS Name: N-methyl-N-[2-(4-morpholinyl)ethyl]-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-methyl-N-(2-morpholin-4-ylethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Traditional Name: N-methyl-N-(2-morpholinoethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)N(C)CCN2CCOCC2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)N(C)CCN2CCOCC2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C21H28N6O4S/c1-3-10-31-16-4-5-19(17(13-16)20-24-18-14-22-15-23-21(18)25-20)32(28,29)26(2)6-7-27-8-11-30-12-9-27/h4-5,13-15H,3,6-12H2,1-2H3,(H,22,23,24,25)