7-[(4-bromanyl-3-fluoranyl-phenyl)amino]-5-(2-pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 7-[(4-bromanyl-3-fluoranyl-phenyl)amino]-5-(2-pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-(4-bromo-3-fluoro-anilino)-5-(2-pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-(4-bromo-3-fluoroanilino)-5-[2-(1-pyrrolidinyl)ethoxymethyl]-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-(4-bromo-3-fluoroanilino)-5-(2-pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-(4-bromo-3-fluoro-anilino)-5-(2-pyrrolidinoethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C20H20BrFN6O MolecularWeight: 459.314803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOCC2=NC3=C(C=NN3C(=C2)NC4=CC(=C(C=C4)Br)F)C#N

Isomeric SMILES

C1CCN(C1)CCOCC2=NC3=C(C=NN3C(=C2)NC4=CC(=C(C=C4)Br)F)C#N

InChI

InChI=1S/C20H20BrFN6O/c21-17-4-3-15(9-18(17)22)25-19-10-16(13-29-8-7-27-5-1-2-6-27)26-20-14(11-23)12-24-28(19)20/h3-4,9-10,12,25H,1-2,5-8,13H2