5-chloranyl-N-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3-pyridyl)ethyl]-2-pyrrolidin-1-yl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3-pyridinyl)ethyl]-2-(1-pyrrolidinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2-pyridin-3-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-(3-pyridyl)ethyl]-2-pyrrolidino-pyrimidine-4-carboxamide Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C(=N2)C(=O)NCCC3=CN=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=C(C(=N2)C(=O)NCCC3=CN=CC=C3)Cl

InChI

InChI=1S/C16H18ClN5O/c17-13-11-20-16(22-8-1-2-9-22)21-14(13)15(23)19-7-5-12-4-3-6-18-10-12/h3-4,6,10-11H,1-2,5,7-9H2,(H,19,23)