5-[2-[(4-chloranyl-3-cyano-phenyl)amino]pyrimidin-4-yl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-[2-[(4-chloranyl-3-cyano-phenyl)amino]pyrimidin-4-yl]-2-propan-2-yloxy-benzamide Openeye Name: 5-[2-(4-chloro-3-cyano-anilino)pyrimidin-4-yl]-2-isopropoxy-benzamide CAS Name: 5-[2-(4-chloro-3-cyanoanilino)-4-pyrimidinyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-[2-(4-chloro-3-cyanoanilino)pyrimidin-4-yl]-2-propan-2-yloxybenzamide Traditional Name: 5-[2-(4-chloro-3-cyano-anilino)pyrimidin-4-yl]-2-isopropoxy-benzamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)Cl)C#N)C(=O)N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)Cl)C#N)C(=O)N

InChI

InChI=1S/C21H18ClN5O2/c1-12(2)29-19-6-3-13(10-16(19)20(24)28)18-7-8-25-21(27-18)26-15-4-5-17(22)14(9-15)11-23/h3-10,12H,1-2H3,(H2,24,28)(H,25,26,27)