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

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-(dimethylamino)benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-(dimethylamino)benzonitrile CAS Name: 3-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-(dimethylamino)benzonitrile IUPAC Name: 3-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-(dimethylamino)benzonitrile Traditional Name: 3-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-(dimethylamino)benzonitrile Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O3S/c1-19(2)9-5-4-8(7-15)6-10(9)23-13-11(20(21)22)12(16)17-14(18-13)24-3/h4-6H,1-3H3,(H2,16,17,18)