N-(1-adamantyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H33N5O2S/c33-24(30-27-15-19-12-20(16-27)14-21(13-19)17-27)18-35-23-5-2-1-4-22(23)25(34)31-8-10-32(11-9-31)26-28-6-3-7-29-26/h1-7,19-21H,8-18H2,(H,30,33)