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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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