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

Systemtic Name: 3-ethyl-5-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[5-(1-piperazinylsulfonyl)-2-propoxyphenyl]-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-(5-piperazin-1-ylsulfonyl-2-propoxyphenyl)-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(5-piperazinosulfonyl-2-propoxy-phenyl)-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H31N7O4S MolecularWeight: 537.63384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=CC=CC=N5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=CC=CC=N5

InChI

InChI=1S/C26H31N7O4S/c1-3-15-37-22-9-8-19(38(35,36)32-13-11-27-12-14-32)16-20(22)25-29-23-21(4-2)33(31-24(23)26(34)30-25)17-18-7-5-6-10-28-18/h5-10,16,27H,3-4,11-15,17H2,1-2H3,(H,29,30,34)