3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide

Systemtic Name: 3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-[2-(2-thienyl)ethyl]benzamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C25H25N5OS/c1-18-6-3-9-21(14-18)30(2)24-16-23(27-17-28-24)29-20-8-4-7-19(15-20)25(31)26-12-11-22-10-5-13-32-22/h3-10,13-17H,11-12H2,1-2H3,(H,26,31)(H,27,28,29)