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

Systemtic Name: N,N-dimethyl-3-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-benzamide Openeye Name: 3-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide CAS Name: N,N-dimethyl-3-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzamide IUPAC Name: 3-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-N,N-dimethyl-benzamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c1-25(2)20(27)15-10-7-11-16(12-15)30-19-17(26(28)29)18(23-21(24-19)31-3)22-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3,(H,22,23,24)