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

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C16H18ClN5OS MolecularWeight: 363.86502

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C16H18ClN5OS/c1-24-16-19-10-13(17)14(20-16)15(23)22-8-6-21(7-9-22)11-12-2-4-18-5-3-12/h2-5,10H,6-9,11H2,1H3