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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-methylbenzyl)-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=C(C=C1)CNC(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5OS/c1-19-7-9-20(10-8-19)16-25-23(30)17-31-24-15-22(26-18-27-24)29-13-11-28(12-14-29)21-5-3-2-4-6-21/h2-10,15,18H,11-14,16-17H2,1H3,(H,25,30)