1-[1,6-dimethyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[1,6-dimethyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidin-5-yl]ethanone Openeye Name: 1-[1,6-dimethyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidin-5-yl]ethanone CAS Name: 1-[1,6-dimethyl-2-(methylthio)-4-(3-nitrophenyl)-4H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[1,6-dimethyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidin-5-yl]ethanone Traditional Name: 1-[1,6-dimethyl-2-(methylthio)-4-(3-nitrophenyl)-4H-pyrimidin-5-yl]ethanone Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-9-13(10(2)19)14(16-15(22-4)17(9)3)11-6-5-7-12(8-11)18(20)21/h5-8,14H,1-4H3