3-[7-oxidanylidene-3-propyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-benzenesulfonyl chloride

Systemtic Name: 3-[7-oxidanylidene-3-propyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-benzenesulfonyl chloride Openeye Name: 3-[7-oxo-3-propyl-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-benzenesulfonyl chloride CAS Name: 3-[7-oxo-3-propyl-1-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxybenzenesulfonyl chloride IUPAC Name: 3-[7-oxo-3-propyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxybenzenesulfonyl chloride Traditional Name: 3-[7-keto-3-propyl-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-4-propoxy-benzenesulfonyl chloride Formula: C23H24ClN5O4S MolecularWeight: 501.98576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCCC)CC4=CC=CC=N4

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCCC)CC4=CC=CC=N4

InChI

InChI=1S/C23H24ClN5O4S/c1-3-7-18-20-21(29(28-18)14-15-8-5-6-11-25-15)23(30)27-22(26-20)17-13-16(34(24,31)32)9-10-19(17)33-12-4-2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,26,27,30)