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

Systemtic Name: 3-[3-methoxy-5-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-phenyl]-N,N-dimethyl-propanamide Openeye Name: 3-[3-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methoxy-phenyl]-N,N-dimethyl-propanamide CAS Name: 3-[3-methoxy-5-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]-N,N-dimethylpropanamide IUPAC Name: 3-[3-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-5-methoxyphenyl]-N,N-dimethylpropanamide Traditional Name: 3-[3-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methoxy-phenyl]-N,N-dimethyl-propionamide Formula: C24H27N5O5S MolecularWeight: 497.56668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O5S/c1-28(2)20(30)11-10-17-12-18(33-3)14-19(13-17)34-23-21(29(31)32)22(26-24(27-23)35-4)25-15-16-8-6-5-7-9-16/h5-9,12-14H,10-11,15H2,1-4H3,(H,25,26,27)