3-ethyl-5-(5-methylsulfonyl-2-propoxy-pyridin-3-yl)-1-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one hydrochloride

Systemtic Name: 3-ethyl-5-(5-methylsulfonyl-2-propoxy-pyridin-3-yl)-1-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one hydrochloride Openeye Name: 3-ethyl-5-(5-methylsulfonyl-2-propoxy-3-pyridyl)-1-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one hydrochloride CAS Name: 3-ethyl-5-(5-methylsulfonyl-2-propoxy-3-pyridinyl)-1-(1-pyrrolidinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one hydrochloride IUPAC Name: 3-ethyl-5-(5-methylsulfonyl-2-propoxypyridin-3-yl)-1-(pyrrolidin-1-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one hydrochloride Traditional Name: 3-ethyl-5-(5-mesyl-2-propoxy-3-pyridyl)-1-(pyrrolidinomethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one hydrochloride Formula: C21H29ClN6O4S MolecularWeight: 497.01076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3CN4CCCC4)CC)S(=O)(=O)C.Cl

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N2)C(=NN3CN4CCCC4)CC)S(=O)(=O)C.Cl

InChI

InChI=1S/C21H28N6O4S.ClH/c1-4-10-31-21-15(11-14(12-22-21)32(3,29)30)19-23-17-16(5-2)25-27(18(17)20(28)24-19)13-26-8-6-7-9-26;/h11-12H,4-10,13H2,1-3H3,(H,23,24,28);1H