N-(3,5-dimethylphenyl)-2-[[2-(4-ethanoylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(4-ethanoylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-4-pyrimidinyl]methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(4-acetylpiperazino)pyrimidin-4-yl]methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=NC(=NC=C3)N4CCN(CC4)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=NC(=NC=C3)N4CCN(CC4)C(=O)C)C

InChI

InChI=1S/C25H28N6O2S/c1-17-13-18(2)15-21(14-17)28-23(33)22-5-4-7-26-24(22)34-16-20-6-8-27-25(29-20)31-11-9-30(10-12-31)19(3)32/h4-8,13-15H,9-12,16H2,1-3H3,(H,28,33)