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

Systemtic Name: 3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C31H32ClN5OS MolecularWeight: 558.13668

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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)NCCC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=C5)Cl

InChI

InChI=1S/C31H32ClN5OS/c32-28-21-29(37-18-16-36(17-19-37)22-25-10-5-2-6-11-25)35-31(34-28)39-23-26-12-7-13-27(20-26)30(38)33-15-14-24-8-3-1-4-9-24/h1-13,20-21H,14-19,22-23H2,(H,33,38)