2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-nitro-6-[[(2R)-1-oxidanylpropan-2-yl]amino]-1H-pyrimidin-4-one

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-nitro-6-[[(2R)-1-oxidanylpropan-2-yl]amino]-1H-pyrimidin-4-one Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-5-nitro-1H-pyrimidin-4-one CAS Name: 2-[(2,3-difluorophenyl)methylthio]-6-[[(2R)-1-hydroxypropan-2-yl]amino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R)-1-hydroxypropan-2-yl]amino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-[(2,3-difluorobenzyl)thio]-6-[[(1R)-2-hydroxy-1-methyl-ethyl]amino]-5-nitro-1H-pyrimidin-4-one Formula: C14H14F2N4O4S MolecularWeight: 372.347166

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=C(C(=O)N=C(N1)SCC2=C(C(=CC=C2)F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CO)NC1=C(C(=O)N=C(N1)SCC2=C(C(=CC=C2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14F2N4O4S/c1-7(5-21)17-12-11(20(23)24)13(22)19-14(18-12)25-6-8-3-2-4-9(15)10(8)16/h2-4,7,21H,5-6H2,1H3,(H2,17,18,19,22)/t7-/m1/s1