5-(2-ethoxy-5-methylsulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(2-ethoxy-5-methylsulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(2-ethoxy-5-methylsulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(2-ethoxy-5-methylsulfonylphenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(2-ethoxy-5-methylsulfonylphenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(2-ethoxy-5-mesyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC)C

InChI

InChI=1S/C18H22N4O4S/c1-5-7-13-15-16(22(3)21-13)18(23)20-17(19-15)12-10-11(27(4,24)25)8-9-14(12)26-6-2/h8-10H,5-7H2,1-4H3,(H,19,20,23)