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

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(diphenylmethyl)ethanamide Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-benzhydryl-acetamide CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-benzhydrylacetamide Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-benzhydryl-acetamide Formula: C26H28ClN5O2S MolecularWeight: 510.05082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H28ClN5O2S/c1-18-16-31(13-14-32(18)19(2)33)23-15-22(27)28-26(29-23)35-17-24(34)30-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,18,25H,13-14,16-17H2,1-2H3,(H,30,34)