3-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-(5-propan-2-ylsulfonyl-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-propan-2-ylsulfonyl-2-propoxy-phenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-(5-isopropylsulfonyl-2-propoxy-phenyl)-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-1-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-5-(5-propan-2-ylsulfonyl-2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-(5-propan-2-ylsulfonyl-2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(5-isopropylsulfonyl-2-propoxy-phenyl)-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C25H36N5O4S+ MolecularWeight: 502.64944

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H35N5O4S/c1-6-14-34-21-11-10-18(35(32,33)17(3)4)15-19(21)24-26-22-20(7-2)28-29(23(22)25(31)27-24)16-30(5)12-8-9-13-30/h10-11,15,17H,6-9,12-14,16H2,1-5H3/p+1