3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-[[2-(m-toluidino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C24H23N5OS/c1-17-5-2-7-19(15-17)28-24-26-13-11-22(29-24)27-20-8-3-6-18(16-20)23(30)25-12-10-21-9-4-14-31-21/h2-9,11,13-16H,10,12H2,1H3,(H,25,30)(H2,26,27,28,29)