2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(4-pyridylmethyl)acetamide Formula: C19H23ClN6O2S MolecularWeight: 434.94292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)Cl

InChI

InChI=1S/C19H23ClN6O2S/c1-13-11-25(7-8-26(13)14(2)27)17-9-16(20)23-19(24-17)29-12-18(28)22-10-15-3-5-21-6-4-15/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,22,28)