2-[4-chloranyl-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-[methyl-(1-methyl-4-piperidyl)amino]pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-[methyl-(1-methyl-4-piperidinyl)amino]-2-pyrimidinyl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: N-benzyl-2-[[4-chloro-6-[methyl-(1-methyl-4-piperidyl)amino]pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C28H34ClN5OS MolecularWeight: 524.12046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCC(CC1)N(C)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H34ClN5OS/c1-32-16-14-24(15-17-32)33(2)26-19-25(29)30-28(31-26)36-21-27(35)34(20-23-11-7-4-8-12-23)18-13-22-9-5-3-6-10-22/h3-12,19,24H,13-18,20-21H2,1-2H3