1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrimidin-2-yl-propane-1,3-dione

Systemtic Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrimidin-2-yl-propane-1,3-dione Openeye Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-pyrimidin-2-yl-propane-1,3-dione CAS Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-(2-pyrimidinyl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-pyrimidin-2-ylpropane-1,3-dione Traditional Name: 1-cyclopropyl-3-(4-mesyl-2-nitro-phenyl)-2-(2-pyrimidyl)propane-1,3-dione Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=NC=CC=N2)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=NC=CC=N2)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c1-27(25,26)11-5-6-12(13(9-11)20(23)24)16(22)14(15(21)10-3-4-10)17-18-7-2-8-19-17/h2,5-10,14H,3-4H2,1H3