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

Systemtic Name: 2-[4-chloranyl-6-[(3S)-4-ethanoyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-[(3S)-4-acetyl-3-methyl-piperazin-1-yl]-6-chloro-pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-[(3S)-4-acetyl-3-methyl-1-piperazinyl]-6-chloro-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-6-chloropyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-[(3S)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C18H28ClN5O2S MolecularWeight: 413.96522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCCC(C)C)Cl

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NCCC(C)C)Cl

InChI

InChI=1S/C18H28ClN5O2S/c1-12(2)5-6-20-17(26)11-27-18-21-15(19)9-16(22-18)23-7-8-24(14(4)25)13(3)10-23/h9,12-13H,5-8,10-11H2,1-4H3,(H,20,26)/t13-/m0/s1