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

Systemtic Name: N-(2-morpholin-4-ylethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Openeye Name: N-(2-morpholinoethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide CAS Name: N-[2-(4-morpholinyl)ethyl]-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-(2-morpholin-4-ylethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Traditional Name: N-(2-morpholinoethyl)-4-propoxy-2-(7H-purin-8-yl)benzenesulfonamide Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCN2CCOCC2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCN2CCOCC2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C20H26N6O4S/c1-2-9-30-15-3-4-18(31(27,28)23-5-6-26-7-10-29-11-8-26)16(12-15)19-24-17-13-21-14-22-20(17)25-19/h3-4,12-14,23H,2,5-11H2,1H3,(H,21,22,24,25)