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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-4-ethanoyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-[(3S)-4-acetyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-[(3S)-4-acetyl-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-[(3S)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C19H30ClN5O2S MolecularWeight: 427.9918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN([C@H](C2)C)C(=O)C

InChI

InChI=1S/C19H30ClN5O2S/c1-4-5-6-7-8-21-18(27)13-28-19-22-16(20)11-17(23-19)24-9-10-25(15(3)26)14(2)12-24/h11,14H,4-10,12-13H2,1-3H3,(H,21,27)/t14-/m0/s1