3-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide

Systemtic Name: 3-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Openeye Name: 3-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide CAS Name: 3-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]oxy]-N,N-dimethylbenzamide IUPAC Name: 3-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]oxy-N,N-dimethylbenzamide Traditional Name: 3-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-N,N-dimethyl-benzamide Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c1-20(2)15(22)10-4-3-5-12(8-10)25-16-17-9-13(21(23)24)14(19-16)18-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,17,18,19)