2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyrimidin-5-yl-furan-3-one

Systemtic Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyrimidin-5-yl-furan-3-one Openeye Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyrimidin-5-yl-furan-3-one CAS Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-(5-pyrimidinyl)-3-furanone IUPAC Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-pyrimidin-5-ylfuran-3-one Traditional Name: 5-(4-mesylphenyl)-2,2-dimethyl-4-(5-pyrimidyl)furan-3-one Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CN=CN=C3)C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CN=CN=C3)C

InChI

InChI=1S/C17H16N2O4S/c1-17(2)16(20)14(12-8-18-10-19-9-12)15(23-17)11-4-6-13(7-5-11)24(3,21)22/h4-10H,1-3H3