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

Systemtic Name: 3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C26H30ClN5OS MolecularWeight: 496.0673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30ClN5OS/c1-19(2)28-25(33)22-10-6-9-21(15-22)18-34-26-29-23(27)16-24(30-26)32-13-11-31(12-14-32)17-20-7-4-3-5-8-20/h3-10,15-16,19H,11-14,17-18H2,1-2H3,(H,28,33)