N-[2-[[5-chloranyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-[[5-chloranyl-2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide Openeye Name: N-[2-[[5-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide CAS Name: N-[2-[[5-chloro-2-(4-cyanoanilino)-4-pyrimidinyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-[[5-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide Traditional Name: N-[2-[[5-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide Formula: C21H17ClN6O MolecularWeight: 404.85228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC=C2NC3=NC(=NC=C3Cl)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC=C2NC3=NC(=NC=C3Cl)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17ClN6O/c22-16-12-24-21(25-15-9-5-13(11-23)6-10-15)28-19(16)26-17-3-1-2-4-18(17)27-20(29)14-7-8-14/h1-6,9-10,12,14H,7-8H2,(H,27,29)(H2,24,25,26,28)