2-[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]-N-(4-pyridylmethyl)acetamide Formula: C17H21ClN6OS MolecularWeight: 392.90624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

InChI

InChI=1S/C17H21ClN6OS/c1-23-6-8-24(9-7-23)15-10-14(18)21-17(22-15)26-12-16(25)20-11-13-2-4-19-5-3-13/h2-5,10H,6-9,11-12H2,1H3,(H,20,25)