4-propoxy-2-(7H-purin-8-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

Systemtic Name: 4-propoxy-2-(7H-purin-8-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide Openeye Name: 4-propoxy-2-(7H-purin-8-yl)-N-(4-pyridylmethyl)benzenesulfonamide CAS Name: 4-propoxy-2-(7H-purin-8-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide IUPAC Name: 4-propoxy-2-(7H-purin-8-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide Traditional Name: 4-propoxy-2-(7H-purin-8-yl)-N-(4-pyridylmethyl)benzenesulfonamide Formula: C20H20N6O3S MolecularWeight: 424.4762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C20H20N6O3S/c1-2-9-29-15-3-4-18(30(27,28)24-11-14-5-7-21-8-6-14)16(10-15)19-25-17-12-22-13-23-20(17)26-19/h3-8,10,12-13,24H,2,9,11H2,1H3,(H,22,23,25,26)