1-[6-methyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-2-methylsulfanyl-4-(5-nitro-2-furyl)-1,4-dihydropyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-2-(methylthio)-4-(5-nitro-2-furanyl)-1,4-dihydropyrimidin-5-yl]ethanone IUPAC Name: 1-[6-methyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-2-(methylthio)-4-(5-nitro-2-furyl)-1,4-dihydropyrimidin-5-yl]ethanone Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SC)C2=CC=C(O2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(N=C(N1)SC)C2=CC=C(O2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C12H13N3O4S/c1-6-10(7(2)16)11(14-12(13-6)20-3)8-4-5-9(19-8)15(17)18/h4-5,11H,1-3H3,(H,13,14)