3-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxy-pyridin-3-yl)-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-pyridin-3-yl)-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-3-pyridyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-1-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-5-(5-methylsulfonyl-2-propoxy-3-pyridinyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxypyridin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(5-mesyl-2-propoxy-3-pyridyl)-1-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H31N6O4S+ MolecularWeight: 475.58434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3C[N+]4(CCCC4)C)CC)S(=O)(=O)C

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3C[N+]4(CCCC4)C)CC)S(=O)(=O)C

InChI

InChI=1S/C22H30N6O4S/c1-5-11-32-22-16(12-15(13-23-22)33(4,30)31)20-24-18-17(6-2)26-27(19(18)21(29)25-20)14-28(3)9-7-8-10-28/h12-13H,5-11,14H2,1-4H3/p+1