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

Systemtic Name: 2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3,3-diphenylpropyl)acetamide IUPAC Name: 2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]-N-(3,3-diphenylpropyl)acetamide Formula: C28H32ClN5O2S MolecularWeight: 538.10398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H32ClN5O2S/c1-2-27(36)34-17-15-33(16-18-34)25-19-24(29)31-28(32-25)37-20-26(35)30-14-13-23(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,19,23H,2,13-18,20H2,1H3,(H,30,35)