3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-chloro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C28H28ClN5O2S MolecularWeight: 534.07222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=CO5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=CO5)Cl

InChI

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