[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-[(2-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-[(2-fluorophenyl)sulfonylamino]propanoate Openeye Name: [2-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]-2-oxo-ethyl] 3-[(2-fluorophenyl)sulfonylamino]propanoate CAS Name: 3-[(2-fluorophenyl)sulfonylamino]propanoic acid [2-[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-[(2-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(2-fluorophenyl)sulfonylamino]propionic acid [2-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C24H26FN5O7S MolecularWeight: 547.555943

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C24H26FN5O7S/c1-2-29(21-22(26)30(24(34)28-23(21)33)14-16-8-4-3-5-9-16)19(31)15-37-20(32)12-13-27-38(35,36)18-11-7-6-10-17(18)25/h3-11,27H,2,12-15,26H2,1H3,(H,28,33,34)