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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazino)pyrimidin-4-yl]methylthio]nicotinamide Formula: C24H28N6OS MolecularWeight: 448.58372

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6OS/c1-17-13-18(2)15-20(14-17)27-22(31)21-5-4-7-25-23(21)32-16-19-6-8-26-24(28-19)30-11-9-29(3)10-12-30/h4-8,13-15H,9-12,16H2,1-3H3,(H,27,31)