tert-butyl 4-cyano-2-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzoate

Systemtic Name: tert-butyl 4-cyano-2-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzoate Openeye Name: tert-butyl 2-[6-(benzylamino)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoate CAS Name: 4-cyano-2-[[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(benzylamino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxy-4-cyanobenzoate Traditional Name: 2-[6-(benzylamino)-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-4-cyano-benzoic acid tert-butyl ester Formula: C24H23N5O7S MolecularWeight: 525.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H23N5O7S/c1-24(2,3)36-22(30)17-11-10-16(13-25)12-18(17)35-21-19(29(31)32)20(27-23(28-21)37(4,33)34)26-14-15-8-6-5-7-9-15/h5-12H,14H2,1-4H3,(H,26,27,28)