5-(2-butoxy-5-methylsulfonyl-phenyl)-3-ethyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(2-butoxy-5-methylsulfonyl-phenyl)-3-ethyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(2-butoxy-5-methylsulfonyl-phenyl)-3-ethyl-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(2-butoxy-5-methylsulfonylphenyl)-3-ethyl-1-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(2-butoxy-5-methylsulfonylphenyl)-3-ethyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(2-butoxy-5-mesyl-phenyl)-3-ethyl-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C24H27N5O4S MolecularWeight: 481.56728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3CC4=CC=CC=N4)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3CC4=CC=CC=N4)CC

InChI

InChI=1S/C24H27N5O4S/c1-4-6-13-33-20-11-10-17(34(3,31)32)14-18(20)23-26-21-19(5-2)28-29(22(21)24(30)27-23)15-16-9-7-8-12-25-16/h7-12,14H,4-6,13,15H2,1-3H3,(H,26,27,30)