propan-2-yl 4-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: isopropyl 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylic acid isopropyl ester Formula: C25H34N6O6S MolecularWeight: 546.63906

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)N4CCN(CC4)C(=O)OC(C)C)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C(=O)OC(C)C)OCC)C

InChI

InChI=1S/C25H34N6O6S/c1-6-8-19-21-22(29(5)28-19)24(32)27-23(26-21)18-15-17(9-10-20(18)36-7-2)38(34,35)31-13-11-30(12-14-31)25(33)37-16(3)4/h9-10,15-16H,6-8,11-14H2,1-5H3,(H,26,27,32)