3-[3-chloranyl-5-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-phenyl]-N,N-dimethyl-propanamide

Systemtic Name: 3-[3-chloranyl-5-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-phenyl]-N,N-dimethyl-propanamide Openeye Name: 3-[3-[6-(benzylamino)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxy-5-chloro-phenyl]-N,N-dimethyl-propanamide CAS Name: 3-[3-chloro-5-[[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]-N,N-dimethylpropanamide IUPAC Name: 3-[3-[6-(benzylamino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxy-5-chlorophenyl]-N,N-dimethylpropanamide Traditional Name: 3-[3-[6-(benzylamino)-2-mesyl-5-nitro-pyrimidin-4-yl]oxy-5-chloro-phenyl]-N,N-dimethyl-propionamide Formula: C23H24ClN5O6S MolecularWeight: 533.98456

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC(=CC(=C1)Cl)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)CCC1=CC(=CC(=C1)Cl)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H24ClN5O6S/c1-28(2)19(30)10-9-16-11-17(24)13-18(12-16)35-22-20(29(31)32)21(26-23(27-22)36(3,33)34)25-14-15-7-5-4-6-8-15/h4-8,11-13H,9-10,14H2,1-3H3,(H,25,26,27)