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

Systemtic Name: N-[(2R)-butan-2-yl]-2-[4-chloranyl-6-[(3R)-4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-chloro-6-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(1R)-1-methylpropyl]acetamide CAS Name: N-[(2R)-butan-2-yl]-2-[[4-chloro-6-[(3R)-4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[(2R)-butan-2-yl]-2-[4-chloro-6-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-chloro-6-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-[(1R)-1-methylpropyl]acetamide Formula: C19H28ClN5O2S MolecularWeight: 425.97592

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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)C3CC3

Isomeric SMILES

CC[C@@H](C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN([C@@H](C2)C)C(=O)C3CC3

InChI

InChI=1S/C19H28ClN5O2S/c1-4-12(2)21-17(26)11-28-19-22-15(20)9-16(23-19)24-7-8-25(13(3)10-24)18(27)14-5-6-14/h9,12-14H,4-8,10-11H2,1-3H3,(H,21,26)/t12-,13-/m1/s1