4-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-2-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-2-nitro-benzenecarbonitrile Openeye Name: 4-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-2-nitro-benzonitrile CAS Name: 4-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-2-nitrobenzonitrile IUPAC Name: 4-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-2-nitrobenzonitrile Traditional Name: 4-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-2-nitro-benzonitrile Formula: C19H14N6O5S MolecularWeight: 438.41666

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC2=CC(=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=CC(=C(C=C2)C#N)[N+](=O)[O-])[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C19H14N6O5S/c1-31-19-22-17(21-11-12-5-3-2-4-6-12)16(25(28)29)18(23-19)30-14-8-7-13(10-20)15(9-14)24(26)27/h2-9H,11H2,1H3,(H,21,22,23)