N-[3-[[6-[(2-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[6-[(2-methylphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[6-(2-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[6-(2-methylanilino)-4-pyrimidinyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[6-(2-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[6-(o-toluidino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=NC(=C2)NC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=NC(=C2)NC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H21N5O/c1-14-5-2-3-8-18(14)26-20-12-19(22-13-23-20)24-16-6-4-7-17(11-16)25-21(27)15-9-10-15/h2-8,11-13,15H,9-10H2,1H3,(H,25,27)(H2,22,23,24,26)