5-chloranyl-N-[(2-phenoxypyridin-4-yl)methyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(2-phenoxypyridin-4-yl)methyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(2-phenoxy-4-pyridyl)methyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(2-phenoxy-4-pyridinyl)methyl]-2-(1-pyrrolidinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(2-phenoxypyridin-4-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[(2-phenoxy-4-pyridyl)methyl]-2-pyrrolidino-pyrimidine-4-carboxamide Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C(=N2)C(=O)NCC3=CC(=NC=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=C(C(=N2)C(=O)NCC3=CC(=NC=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5O2/c22-17-14-25-21(27-10-4-5-11-27)26-19(17)20(28)24-13-15-8-9-23-18(12-15)29-16-6-2-1-3-7-16/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,24,28)