N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-methanesulfonamide

Systemtic Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-methanesulfonamide Openeye Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-methanesulfonamide CAS Name: N-[3-(3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-propylmethanesulfonamide IUPAC Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propylmethanesulfonamide Traditional Name: N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-propyl-methanesulfonamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C16H17N5O4S/c1-3-9-19(26(2,24)25)13-6-4-5-12(10-13)14-7-8-17-16-15(21(22)23)11-18-20(14)16/h4-8,10-11H,3,9H2,1-2H3