2-[[3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]methoxy]ethyl methanesulfonate

Systemtic Name: 2-[[3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]methoxy]ethyl methanesulfonate Openeye Name: 2-[[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]methoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]methoxy]ethyl ester IUPAC Name: 2-[[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]methoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-benzyl]oxyethyl ester Formula: C22H30N4O6S MolecularWeight: 478.5618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)COCCOS(=O)(=O)C)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)COCCOS(=O)(=O)C)OCCC)C

InChI

InChI=1S/C22H30N4O6S/c1-5-7-17-19-20(26(3)25-17)22(27)24-21(23-19)16-13-15(8-9-18(16)31-10-6-2)14-30-11-12-32-33(4,28)29/h8-9,13H,5-7,10-12,14H2,1-4H3,(H,23,24,27)