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

Systemtic Name: 2-[4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(diphenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-(4-benzhydrylpiperazino)-6-chloro-pyrimidin-2-yl]thio]-N-isopropyl-acetamide Formula: C26H30ClN5OS MolecularWeight: 496.0673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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