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

Systemtic Name: 1-[6-methyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-1-phenyl-4H-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-2-methylsulfanyl-4-(5-nitro-2-furyl)-1-phenyl-4H-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-2-(methylthio)-4-(5-nitro-2-furanyl)-1-phenyl-4H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[6-methyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-1-phenyl-4H-pyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-2-(methylthio)-4-(5-nitro-2-furyl)-1-phenyl-4H-pyrimidin-5-yl]ethanone Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1C2=CC=CC=C2)SC)C3=CC=C(O3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(N=C(N1C2=CC=CC=C2)SC)C3=CC=C(O3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C18H17N3O4S/c1-11-16(12(2)22)17(14-9-10-15(25-14)21(23)24)19-18(26-3)20(11)13-7-5-4-6-8-13/h4-10,17H,1-3H3