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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)-4-pyrimidinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(2-hydroxyethylamino)pyrimidin-4-yl]methylthio]nicotinamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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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)NCCO)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-14-10-15(2)12-17(11-14)25-19(28)18-4-3-6-22-20(18)29-13-16-5-7-23-21(26-16)24-8-9-27/h3-7,10-12,27H,8-9,13H2,1-2H3,(H,25,28)(H,23,24,26)