N-(2,2-dimethylpropyl)-3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(2,2-dimethylpropyl)-3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-(2,2-dimethylpropyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: N-(2,2-dimethylpropyl)-3-[[6-(3-methylanilino)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(2,2-dimethylpropyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide Traditional Name: 3-[[6-(m-toluidino)pyrimidin-4-yl]amino]-N-neopentyl-benzamide Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCC(C)(C)C

InChI

InChI=1S/C23H27N5O/c1-16-7-5-9-18(11-16)27-20-13-21(26-15-25-20)28-19-10-6-8-17(12-19)22(29)24-14-23(2,3)4/h5-13,15H,14H2,1-4H3,(H,24,29)(H2,25,26,27,28)