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

Systemtic Name: N,N-dimethyl-3-[3-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxyphenyl]propanamide Openeye Name: 3-[3-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyphenyl]-N,N-dimethyl-propanamide CAS Name: N,N-dimethyl-3-[3-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]propanamide IUPAC Name: 3-[3-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyphenyl]-N,N-dimethylpropanamide Traditional Name: 3-[3-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyphenyl]-N,N-dimethyl-propionamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-27(2)19(29)13-12-16-10-7-11-18(14-16)32-22-20(28(30)31)21(25-23(26-22)33-3)24-15-17-8-5-4-6-9-17/h4-11,14H,12-13,15H2,1-3H3,(H,24,25,26)