2-[4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-(diphenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[4-(4-benzhydrylpiperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(2-furfuryl)acetamide Formula: C28H28ClN5O2S MolecularWeight: 534.07222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CO3)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28ClN5O2S/c29-24-18-25(32-28(31-24)37-20-26(35)30-19-23-12-7-17-36-23)33-13-15-34(16-14-33)27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,17-18,27H,13-16,19-20H2,(H,30,35)