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

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-ethoxy-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-ethoxy-benzonitrile CAS Name: 3-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-ethoxybenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-ethoxybenzonitrile Traditional Name: 3-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-ethoxy-benzonitrile Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])N)SC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])N)SC

InChI

InChI=1S/C14H13N5O4S/c1-3-22-9-5-4-8(7-15)6-10(9)23-13-11(19(20)21)12(16)17-14(18-13)24-2/h4-6H,3H2,1-2H3,(H2,16,17,18)