N-cyclohexyl-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5OS/c28-21(25-18-7-3-1-4-8-18)16-29-22-15-20(23-17-24-22)27-13-11-26(12-14-27)19-9-5-2-6-10-19/h2,5-6,9-10,15,17-18H,1,3-4,7-8,11-14,16H2,(H,25,28)