2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(2R)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(2R)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(1R)-1,2-dimethylpropyl]acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-[(2R)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-[(1R)-1,2-dimethylpropyl]acetamide Formula: C18H28ClN5O2S MolecularWeight: 413.96522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NC(C)C(C)C)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N[C@H](C)C(C)C)Cl

InChI

InChI=1S/C18H28ClN5O2S/c1-5-17(26)24-8-6-23(7-9-24)15-10-14(19)21-18(22-15)27-11-16(25)20-13(4)12(2)3/h10,12-13H,5-9,11H2,1-4H3,(H,20,25)/t13-/m1/s1