5-chloranyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(4-ethyl-1-piperazinyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(4-ethylpiperazino)phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H22ClN5OS MolecularWeight: 391.91818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H22ClN5OS/c1-3-23-8-10-24(11-9-23)14-6-4-13(5-7-14)21-17(25)16-15(19)12-20-18(22-16)26-2/h4-7,12H,3,8-11H2,1-2H3,(H,21,25)