2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(1,2-diphenylethyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(1,2-diphenylethyl)acetamide Formula: C28H30ClN5O2S MolecularWeight: 536.0881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H30ClN5O2S/c29-24-18-25(33-13-15-34(16-14-33)27(36)22-11-12-22)32-28(31-24)37-19-26(35)30-23(21-9-5-2-6-10-21)17-20-7-3-1-4-8-20/h1-10,18,22-23H,11-17,19H2,(H,30,35)