N-(3,5-dimethylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H27N5OS/c1-18-12-19(2)14-20(13-18)27-23(30)16-31-24-15-22(25-17-26-24)29-10-8-28(9-11-29)21-6-4-3-5-7-21/h3-7,12-15,17H,8-11,16H2,1-2H3,(H,27,30)