5-chloranyl-2-methylsulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4-pyrimidinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H24ClN5OS MolecularWeight: 405.94476

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H24ClN5OS/c1-27-19-22-13-16(20)17(23-19)18(26)21-7-8-24-9-11-25(12-10-24)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H,21,26)