2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-N-(4-pyridylmethyl)acetamide Formula: C16H18ClN5OS MolecularWeight: 363.86502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

InChI

InChI=1S/C16H18ClN5OS/c17-13-9-14(22-7-1-2-8-22)21-16(20-13)24-11-15(23)19-10-12-3-5-18-6-4-12/h3-6,9H,1-2,7-8,10-11H2,(H,19,23)