3-[7-oxidanylidene-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[7-oxidanylidene-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[7-oxo-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 3-[7-oxo-3-propyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 3-[7-oxo-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[7-keto-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-N-(2-pyridylmethyl)benzenesulfonamide Formula: C29H31N7O4S MolecularWeight: 573.66594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)NCC5=CC=CC=N5)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)NCC5=CC=CC=N5)OCCC

InChI

InChI=1S/C29H31N7O4S/c1-3-9-24-26-27(35-36(24)19-21-11-6-8-15-31-21)29(37)34-28(33-26)23-17-22(12-13-25(23)40-16-4-2)41(38,39)32-18-20-10-5-7-14-30-20/h5-8,10-15,17,32H,3-4,9,16,18-19H2,1-2H3,(H,33,34,37)