N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-4-ethyl-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4-ethyl-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazino]ethyl]-4-ethyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C20H26ClN5OS MolecularWeight: 419.97134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl)SC

Isomeric SMILES

CCC1=NC(=NC=C1C(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl)SC

InChI

InChI=1S/C20H26ClN5OS/c1-3-18-17(14-23-20(24-18)28-2)19(27)22-7-8-25-9-11-26(12-10-25)16-6-4-5-15(21)13-16/h4-6,13-14H,3,7-12H2,1-2H3,(H,22,27)