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

Systemtic Name: 2-cyano-5-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzamide Openeye Name: 5-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-2-cyano-benzamide CAS Name: 2-cyano-5-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzamide IUPAC Name: 5-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-2-cyanobenzamide Traditional Name: 5-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-2-cyano-benzamide Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N6O4S/c1-31-20-24-18(23-11-12-5-3-2-4-6-12)16(26(28)29)19(25-20)30-14-8-7-13(10-21)15(9-14)17(22)27/h2-9H,11H2,1H3,(H2,22,27)(H,23,24,25)