4-[[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[(1-methyl-5-indazolyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: 4-[[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C21H18N8O MolecularWeight: 398.42062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC3=NC(=NC4=C3C=CN4)NC5=CC=C(C=C5)C(=O)N)C=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC3=NC(=NC4=C3C=CN4)NC5=CC=C(C=C5)C(=O)N)C=N1

InChI

InChI=1S/C21H18N8O/c1-29-17-7-6-15(10-13(17)11-24-29)25-20-16-8-9-23-19(16)27-21(28-20)26-14-4-2-12(3-5-14)18(22)30/h2-11H,1H3,(H2,22,30)(H3,23,25,26,27,28)