3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-methyl-benzenecarbonitrile

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-methyl-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-methyl-benzonitrile CAS Name: 3-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-methylbenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-methylbenzonitrile Traditional Name: 3-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-methyl-benzonitrile Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])N)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])N)SC

InChI

InChI=1S/C13H11N5O3S/c1-7-3-4-8(6-14)5-9(7)21-12-10(18(19)20)11(15)16-13(17-12)22-2/h3-5H,1-2H3,(H2,15,16,17)