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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-chloro-6-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxopentyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[4-chloro-6-[(3S)-3-methyl-4-pentanoylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-valeryl-piperazino]pyrimidin-2-yl]thio]-N-isopropyl-acetamide Formula: C19H30ClN5O2S MolecularWeight: 427.9918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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