2-[[5-[(4-fluorophenyl)carbamoyl]-2-methylsulfonyl-pyrimidin-4-yl]amino]ethylcarbamic acid

Systemtic Name: 2-[[5-[(4-fluorophenyl)carbamoyl]-2-methylsulfonyl-pyrimidin-4-yl]amino]ethylcarbamic acid Openeye Name: 2-[[5-[(4-fluorophenyl)carbamoyl]-2-methylsulfonyl-pyrimidin-4-yl]amino]ethylcarbamic acid CAS Name: 2-[[5-[(4-fluoroanilino)-oxomethyl]-2-methylsulfonyl-4-pyrimidinyl]amino]ethylcarbamic acid IUPAC Name: 2-[[5-[(4-fluorophenyl)carbamoyl]-2-methylsulfonylpyrimidin-4-yl]amino]ethylcarbamic acid Traditional Name: 2-[[5-[(4-fluorophenyl)carbamoyl]-2-mesyl-pyrimidin-4-yl]amino]ethylcarbamic acid Formula: C15H16FN5O5S MolecularWeight: 397.381443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)NCCNC(=O)O)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)NCCNC(=O)O)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C15H16FN5O5S/c1-27(25,26)14-19-8-11(12(21-14)17-6-7-18-15(23)24)13(22)20-10-4-2-9(16)3-5-10/h2-5,8,18H,6-7H2,1H3,(H,20,22)(H,23,24)(H,17,19,21)