1-(2,4-dimethylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,4-dimethylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(2,4-dimethylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(2,4-dimethylphenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(2,4-dimethylphenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(2,4-dimethylphenyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]ethanone Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4OS/c1-18-8-9-21(19(2)14-18)22(29)16-30-24-15-23(25-17-26-24)28-12-10-27(11-13-28)20-6-4-3-5-7-20/h3-9,14-15,17H,10-13,16H2,1-2H3