(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-(2-phenoxyethyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[4-(2-phenoxyethyl)piperazino]methanone Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CCOC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CCOC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-26-18-20-13-15(19)16(21-18)17(24)23-9-7-22(8-10-23)11-12-25-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3