3-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxy-phenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxy-phenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxy-phenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-1-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-5-(5-methylsulfonyl-2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(5-mesyl-2-propoxy-phenyl)-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3C[N+]4(CCCC4)C)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3C[N+]4(CCCC4)C)CC

InChI

InChI=1S/C23H31N5O4S/c1-5-13-32-19-10-9-16(33(4,30)31)14-17(19)22-24-20-18(6-2)26-27(21(20)23(29)25-22)15-28(3)11-7-8-12-28/h9-10,14H,5-8,11-13,15H2,1-4H3/p+1