N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: N-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide Openeye Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-yl-pyrrolo[2,3-d]pyrimidine-2-carboxamide CAS Name: N-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-7-phenyl-4-(1-pyrrolidinyl)-2-pyrrolo[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide Traditional Name: N-(2-chloro-4-fluoro-benzyl)-5,6-dimethyl-7-phenyl-4-pyrrolidino-pyrrolo[2,3-d]pyrimidine-2-carboxamide Formula: C26H25ClFN5O MolecularWeight: 477.961003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=C(C=C(C=C3)F)Cl)N4CCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC(=N2)C(=O)NCC3=C(C=C(C=C3)F)Cl)N4CCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H25ClFN5O/c1-16-17(2)33(20-8-4-3-5-9-20)25-22(16)24(32-12-6-7-13-32)30-23(31-25)26(34)29-15-18-10-11-19(28)14-21(18)27/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,29,34)