N-[2,4-bis[(3-methylphenyl)amino]pyrimidin-5-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2,4-bis[(3-methylphenyl)amino]pyrimidin-5-yl]-3-fluoranyl-benzamide Openeye Name: N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluoro-benzamide CAS Name: N-[2,4-bis(3-methylanilino)-5-pyrimidinyl]-3-fluorobenzamide IUPAC Name: N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluorobenzamide Traditional Name: N-[2,4-bis(m-toluidino)pyrimidin-5-yl]-3-fluoro-benzamide Formula: C25H22FN5O MolecularWeight: 427.473483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2NC(=O)C3=CC(=CC=C3)F)NC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2NC(=O)C3=CC(=CC=C3)F)NC4=CC=CC(=C4)C

InChI

InChI=1S/C25H22FN5O/c1-16-6-3-10-20(12-16)28-23-22(30-24(32)18-8-5-9-19(26)14-18)15-27-25(31-23)29-21-11-4-7-17(2)13-21/h3-15H,1-2H3,(H,30,32)(H2,27,28,29,31)