3-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 3-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-4-benzyloxy-benzonitrile CAS Name: 3-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-benzonitrile Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=C(C=CC(=C2)C#N)OCC3=CC=CC=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C26H21N5O4S/c1-36-26-29-24(28-16-18-8-4-2-5-9-18)23(31(32)33)25(30-26)35-22-14-20(15-27)12-13-21(22)34-17-19-10-6-3-7-11-19/h2-14H,16-17H2,1H3,(H,28,29,30)