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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[4-chloro-6-[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[4-chloro-6-[(3S)-4-isovaleryl-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-propyl-acetamide Formula: C19H30ClN5O2S MolecularWeight: 427.9918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30ClN5O2S/c1-5-6-21-17(26)12-28-19-22-15(20)10-16(23-19)24-7-8-25(14(4)11-24)18(27)9-13(2)3/h10,13-14H,5-9,11-12H2,1-4H3,(H,21,26)/t14-/m0/s1