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

Systemtic Name: 3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide Openeye Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide CAS Name: 3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]-N-(2-hydroxypropyl)benzamide IUPAC Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide Traditional Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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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)NCC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-15-6-4-9-19(10-15)27(3)21-12-20(24-14-25-21)26-18-8-5-7-17(11-18)22(29)23-13-16(2)28/h4-12,14,16,28H,13H2,1-3H3,(H,23,29)(H,24,25,26)