N-butan-2-yl-2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butan-2-yl-2-[4-chloranyl-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-chloro-6-[3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[4-chloro-6-[3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-(4-isovaleryl-3-methyl-piperazino)pyrimidin-2-yl]thio]-N-sec-butyl-acetamide Formula: C20H32ClN5O2S MolecularWeight: 442.01838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClN5O2S/c1-6-14(4)22-18(27)12-29-20-23-16(21)10-17(24-20)25-7-8-26(15(5)11-25)19(28)9-13(2)3/h10,13-15H,6-9,11-12H2,1-5H3,(H,22,27)