5-chloranyl-N-(3-phenylsulfanylpropyl)-2-piperidin-1-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-phenylsulfanylpropyl)-2-piperidin-1-yl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(3-phenylsulfanylpropyl)-2-(1-piperidyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-(phenylthio)propyl]-2-(1-piperidinyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3-phenylsulfanylpropyl)-2-piperidin-1-ylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(phenylthio)propyl]-2-piperidino-pyrimidine-4-carboxamide Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)NCCCSC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)NCCCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4OS/c20-16-14-22-19(24-11-5-2-6-12-24)23-17(16)18(25)21-10-7-13-26-15-8-3-1-4-9-15/h1,3-4,8-9,14H,2,5-7,10-13H2,(H,21,25)