N-[(2S)-butan-2-yl]-2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H26ClN5O2S MolecularWeight: 411.94934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C18H26ClN5O2S/c1-3-12(2)20-16(25)11-27-18-21-14(19)10-15(22-18)23-6-8-24(9-7-23)17(26)13-4-5-13/h10,12-13H,3-9,11H2,1-2H3,(H,20,25)/t12-/m0/s1