5-[2-ethoxy-5-(2-pyridin-3-ylpiperidin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-ethoxy-5-(2-pyridin-3-ylpiperidin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-[2-(3-pyridyl)piperidino]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H32N6O4S MolecularWeight: 536.64578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4C5=CN=CC=C5)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4C5=CN=CC=C5)OCC)C

InChI

InChI=1S/C27H32N6O4S/c1-4-9-21-24-25(32(3)31-21)27(34)30-26(29-24)20-16-19(12-13-23(20)37-5-2)38(35,36)33-15-7-6-11-22(33)18-10-8-14-28-17-18/h8,10,12-14,16-17,22H,4-7,9,11,15H2,1-3H3,(H,29,30,34)