N-[5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-pyridin-3-yl]-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-[5-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-pyridin-3-yl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridinyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[5-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxypyridin-3-yl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-[5-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-propoxy-3-pyridyl]-N-mesyl-methanesulfonamide Formula: C19H26N6O6S2 MolecularWeight: 498.57634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CN=C3OCCC)N(S(=O)(=O)C)S(=O)(=O)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CN=C3OCCC)N(S(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C19H26N6O6S2/c1-6-8-14-15-16(24(3)23-14)18(26)22-17(21-15)13-10-12(11-20-19(13)31-9-7-2)25(32(4,27)28)33(5,29)30/h10-11H,6-9H2,1-5H3,(H,21,22,26)