4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C25H28ClN5OS MolecularWeight: 482.04072

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H28ClN5OS/c1-30-13-15-31(16-14-30)23-17-22(26)28-25(29-23)33-18-20-7-9-21(10-8-20)24(32)27-12-11-19-5-3-2-4-6-19/h2-10,17H,11-16,18H2,1H3,(H,27,32)