2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C20H19ClN4OS/c21-16-6-1-4-15-5-2-7-17(19(15)16)27-14-18(26)24-10-12-25(13-11-24)20-22-8-3-9-23-20/h1-9H,10-14H2