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

Systemtic Name: 2-[4-[(3S)-4-butanoyl-3-methyl-piperazin-1-yl]-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[4-[(3S)-4-butanoyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[4-chloro-6-[(3S)-3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: 2-[4-[(3S)-4-butanoyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[[4-[(3S)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C19H30ClN5O2S MolecularWeight: 427.9918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30ClN5O2S/c1-5-7-18(27)25-9-8-24(11-14(25)4)16-10-15(20)22-19(23-16)28-12-17(26)21-13(3)6-2/h10,13-14H,5-9,11-12H2,1-4H3,(H,21,26)/t13-,14-/m0/s1