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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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