5-(2-butoxy-5-methylsulfonyl-phenyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(2-butoxy-5-methylsulfonyl-phenyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(2-butoxy-5-methylsulfonyl-phenyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(2-butoxy-5-methylsulfonylphenyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(2-butoxy-5-methylsulfonylphenyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(2-butoxy-5-mesyl-phenyl)-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=NN(C(=C3N2)CC)CCOC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=NN(C(=C3N2)CC)CCOC

InChI

InChI=1S/C21H28N4O5S/c1-5-7-11-30-17-9-8-14(31(4,27)28)13-15(17)20-22-18-16(6-2)25(10-12-29-3)24-19(18)21(26)23-20/h8-9,13H,5-7,10-12H2,1-4H3,(H,22,23,26)