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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-3-methyl-4-propanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-chloro-6-[(3S)-3-methyl-4-propanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C19H30ClN5O2S MolecularWeight: 427.9918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC(C)C)Cl

Isomeric SMILES

CCC(=O)N1CCN(C[C@@H]1C)C2=CC(=NC(=N2)SCC(=O)NCCC(C)C)Cl

InChI

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