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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN5O2S/c1-2-3-6-20-16(25)12-27-18-21-14(19)11-15(22-18)23-7-9-24(10-8-23)17(26)13-4-5-13/h11,13H,2-10,12H2,1H3,(H,20,25)