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

Systemtic Name: N-(3-methylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(m-tolyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C23H25N5OS MolecularWeight: 419.5425

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5OS/c1-18-6-5-7-19(14-18)26-22(29)16-30-23-15-21(24-17-25-23)28-12-10-27(11-13-28)20-8-3-2-4-9-20/h2-9,14-15,17H,10-13,16H2,1H3,(H,26,29)