1-[1,6-dimethyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-4H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[1,6-dimethyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-4H-pyrimidin-5-yl]ethanone Openeye Name: 1-[1,6-dimethyl-2-methylsulfanyl-4-(5-nitro-2-furyl)-4H-pyrimidin-5-yl]ethanone CAS Name: 1-[1,6-dimethyl-2-(methylthio)-4-(5-nitro-2-furanyl)-4H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[1,6-dimethyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-4H-pyrimidin-5-yl]ethanone Traditional Name: 1-[1,6-dimethyl-2-(methylthio)-4-(5-nitro-2-furyl)-4H-pyrimidin-5-yl]ethanone Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1C)SC)C2=CC=C(O2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(N=C(N1C)SC)C2=CC=C(O2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C13H15N3O4S/c1-7-11(8(2)17)12(14-13(21-4)15(7)3)9-5-6-10(20-9)16(18)19/h5-6,12H,1-4H3