5,7-dimethyl-N-[2-[(2-nitrophenyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5,7-dimethyl-N-[2-[(2-nitrophenyl)amino]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 5,7-dimethyl-N-[2-(2-nitroanilino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5,7-dimethyl-N-[2-(2-nitroanilino)ethyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 5,7-dimethyl-N-[2-(2-nitroanilino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 5,7-dimethyl-N-[2-(2-nitroanilino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O3/c1-11-9-12(2)22-16(21-11)13(10-20-22)17(24)19-8-7-18-14-5-3-4-6-15(14)23(25)26/h3-6,9-10,18H,7-8H2,1-2H3,(H,19,24)